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Associate Professor Marian Radny

Associate Professor

School of Mathematical and Physical Sciences (Physics)

Career Summary

Biography

My research, as a computational/theoretical physicist, is concerned with searching for materials possessing unusual structural & electronic properties, and quantitative modelling of surfaces and nanosystems. Prior to my appointment at the University of Newcastle I was developing mathematical models for studying electronic phenomena at metal surfaces. Since my appointment in 1994 I have investigated properties (mainly structural) of adsorbed semiconductor surfaces. In the past 5 years, adopting state-of-the-art first-principles (ab initio) theory, I have extended these studies onto complex functional materials and surfaces that are directly of experimental and technological interest. As such, my research, while still providing fundamental knowledge and understanding at the atomic level, also facilitates the design and development relevance to high technological interest such as semiconductor materials and nanocomposities for nanoelectronics or heterogeneous catalysis for clean energy technologies. The achievements of my research, viewed in the context of opportunity (Teaching & Service), are: - Established an international, national and local track record in computational surface physics and nanoscience; - Established effective and successful cross-disciplinary collaboration with leading theoretical, experimental and engineering groups; - Built up significant (in size) research group and established three major research programs: Single-organic-molecule Molecular Electronics, Properties of Nanosystems, and Catalytic Formation of Pollutants; - Received significant and essential support (internal and external) for successful execution and extension of my research projects; - Published 66 research papers in relevant and top-ranked journals; presented 108 conference papers; - Successfully supervised two (54) PhD projects

Research Expertise
All of my research has been in the area of theoretical/computational solid state physics (surface physics) and nanoscience (nanotubes, atomic clusters, and those resulting from the interaction of various atoms and molecules with semiconductor surfaces. Over my entire academic career I have published 90 research papers in peer-reviewed journals, received more than $500,000 in research grants, been a referee for many international journals, and presented talks at a large number of national and international conferences. During the past five years I have been the recipient of 15 internally and externally funded grants totaling over $200,000 and have, together with my colleague A/Prof. Phil Smith, been granted over 300,000 hours of processing time on the ANU APAC supercomputer facility. ,

Teaching Expertise
My teaching experience in the past 5 years includes teaching physics at undergraduate and honors levels. I have also supervised 3 RHD students. I have tought all course in General Physics; also Quantum Mechanics, Solid State Physics, Surface Physics, and Computer modelling. I have introduce a number of innovations (new undergraduate laboratory. on-line tutorial system). I have published and presented conference papers on teaching and learning (4 conference presentations and 3 published papers).

Administrative Expertise
Since 2005 I have been serving as the Head of the Discipline (HOD) of Physics (School of Mathematical & Physical Sciences). My main responsibility as a HOD is to monitor the teaching process and teaching related administration within the discipline. As a HOD I am responsible for the distribution of part-time teaching, and the teaching allocations of academic staff. I am also involved in developing strategic direction & staff developing programs (eg. Management for Performance - Academic Staff supervisor). Program coordinator (Physics Major). I address the needs of students enrolled in the BSc program (physics major). I assess the applications for student exchange programs and provide advice on course selection and supporting programs. I am responsible for students credit transfers. I am also a member of the BSc Program Committee. First year coordinator (2003-2005). I was the first-year course coordinator for all undergraduate physics courses Currently I am a course coordinator of the newly developed undergraduate course (Phys1205 Integrated Physics 220 students). Since 2004 I have been the first-year laboratory program coordinator for all introductory physics courses at the 1000 level (650 students in total in 2007).


Qualifications

  • Habilitation (European Equiv to Doctor of Sc), University of Wroclaw, Poland
  • Master of Science, University of Wroclaw, Poland
  • PhD, University of Wroclaw, Poland

Keywords

  • Atomic Closters
  • Computational Physics
  • Computer simulations
  • General Physics
  • Nanostructures
  • Nanotubes
  • Quantum Mechanics
  • Solid State Physics
  • Surface Physics

Languages

  • Polish (Fluent)

Fields of Research

CodeDescriptionPercentage
020699Quantum Physics not elsewhere classified15
030699Physical Chemistry not elsewhere classified50
020499Condensed Matter Physics not elsewhere classified35

Professional Experience

UON Appointment

DatesTitleOrganisation / Department
1/01/2014 - Associate ProfessorUniversity of Newcastle
School of Mathematical and Physical Sciences
Australia

Academic appointment

DatesTitleOrganisation / Department
1/11/2004 - 1/03/2005Visiting ProfessorInstitute for Materials Reserach
Japan
1/05/1994 - Head of Discipline of PhysicsUniversity of Newcastle
School of Mathematical and Physical Sciences
Australia

Membership

DatesTitleOrganisation / Department
Member - International Vacuum SocietyInternational Vacuum Society
Australia
Executive Group Member - Asian Consortium for Computational Materials ScienceAsian Consortium for Computational Materials Science
India
Member - Polish Physical SocietyPolish Physical Society
Poland
Member - Australian Institute of PhysicsAustralian Institute of Physics
Australia

Awards

Research Award

YearAward
2004Fellowship
Unknown

Invitations

Participant

YearTitle / Rationale
2007Towards Molecular Electronic
Organisation: ACCMS - VO Description: Invited presentation / Chair of a session
Edit

Publications

For publications that are currently unpublished or in-press, details are shown in italics.


Chapter (1 outputs)

YearCitationAltmetricsLink
1995SMITH PV, RADNY MW, DYSON AJ, 'Theoretical studies of semiconductor surfaces with particular reference to fluorine and chlorine chemisorption on Si(001)', , PLENUM PRESS DIV PLENUM PUBLISHING CORP 175-189 (1995)
Author URL
CitationsWeb of Science - 1
Co-authorsPhil Smith

Journal article (103 outputs)

YearCitationAltmetricsLink
2014Smith PV, Radny MW, Ali Shah G, 'Density functional study of the Ge(111)c(2 x 8) surface using the modified Becke-Johnson exchange potential with LDA correlation and spin-orbit interactions', RSC Advances, 4 48245-48253 (2014) [C1]

We show that the MBJLDA exchange and correlation potential proposed by Tran and Blaha for bulk materials [Phys. Rev. Lett. 2009, 102, 226401], combined with spin-orbit interactions and LDA pseudopotentials within the plane wave density functional method, accurately reproduces the electronic structure and photoemission data of the complex Ge(111)c(2 x 8) surface without requiring any energy shifts. The MBJLDA + SO calculations also enable the nature of the states comprising the various photoemission bands to be unambiguously determined. Coupled with earlier studies, these results indicate that this new approach provides an accurate and computationally viable method for investigating semiconductor surfaces.

DOI10.1039/c4ra05636a
Co-authorsPhil Smith
2014Grzela T, Koczorowski W, Capellini G, Czajka R, Radny MW, Curson N, et al., 'Interface and nanostructure evolution of cobalt germanides on Ge(001)', JOURNAL OF APPLIED PHYSICS, 115 (2014) [C1]
DOI10.1063/1.4865955Author URL
CitationsScopus - 1Web of Science - 3
2014Shah GA, Radny MW, Smith PV, 'Electronic effects of isolated halogen atoms on the Ge(001) surface', Surface Science, 627 49-56 (2014) [C1]

The asymmetric slab approach and density functional theory (DFT) are used to discuss the interaction of isolated halogen atoms (F, Cl, Br and I) with the Ge(001)c(4 × 2) surface. For each adsorbate on thick slabs we find two stable adatomconfigurations separated by ~0.1 eV. In both configurations, the unsaturated dangling bonds (DB) of the chemisorbed dimers are fully charged due to the interaction of the DB-derived surface stateswith the bulk states. This behavior is found to be insensitive towhether the calculations are performed using standard groundstate DFT, or DFT supplemented by MBJLDA and spin-orbit corrections to produce an accurate surface electronic structure and energy gap. On chemisorbed ultrathin Ge slabs, however, these unsaturated DB's are empty for the lowest energy configurations. This results in different geometries and energetics for the chemisorbed dimers. A detailed analysis of the predicted scanning tunneling microscopy images of halogen-chemisorbed surfaces is also presented. It is predicted that the halogen atoms may image darkly, yielding filled-state images similar to that of the clean surface, while the empty-state images should be noticeably different. © 2014 Elsevier B.V. All rights reserved.

DOI10.1016/j.susc.2014.04.013
CitationsScopus - 1Web of Science - 1
Co-authorsPhil Smith
2014Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Stockenhuber M, et al., 'Water formation via HCl oxidation on Cu(100)', APPLIED SURFACE SCIENCE, 299 156-161 (2014) [C1]
DOI10.1016/j.apsusc.2014.01.204Author URL
Co-authorsMichael Gladys, Phil Smith, Bogdan Dlugogorski, Eric Kennedy, John Mackie, Michael Stockenhuber
2014Puchalska A, Jurczyszyn L, Stankiewicz B, Radny MW, 'Isolated benzene and dichlorobenzene on the Ge(1 0 0)-c(4 × 2) surface', Applied Surface Science, 304 96-102 (2014)
DOI10.1016/j.apsusc.2014.01.139
2014Puchalska A, Jurczyszyn L, Stankiewicz B, Radny MW, 'Isolated benzene and dichlorobenzene on the Ge(1 0 0)-c(4 × 2) surface', Applied Surface Science, 304 96-102 (2014) [C1]

Adsorption of isolated benzene and dichlorobenzene molecules on the Ge(1 0 0) surface is studied based on total energy and electronic structure density functional theory calculations. It is found that the most stable configuration for benzene on Ge(1 0 0) is the symmetric on-top single dimer bonding structure, with the asymmetric tight bridge configuration being the second lowest energy geometry. This is in contrast to benzene on Si(1 0 0) where the asymmetric tight bridge structure is the most stable structure. For dichlorobenzene on Ge(1 0 0) it is found that the on-top single dimer bonding structure is the most stable. We also show that while the stability of the adsorbed dichlorobenzene is significantly enhanced with respect to the adsorbed benzene on Ge(1 0 0), presumably due to the presence of the chlorine atoms, its electronic structure is similar to that in the gas phase. The latter was found to be similar to the weakly interacting benzene molecule with Ge(1 0 0). . © 2014 Elsevier B.V. All rights reserved.

DOI10.1016/j.apsusc.2014.01.139
2014Smith PV, Radny MW, Shah GA, 'Surface Electronic Structure Calculations Using the MBJLDA Potential: Application to Si(111) 2 3 1', JOURNAL OF COMPUTATIONAL CHEMISTRY, 35 1248-1254 (2014) [C1]
DOI10.1002/jcc.23615Author URL
CitationsScopus - 2Web of Science - 2
Co-authorsPhil Smith
2014Shah GA, Radny MW, Smith PV, 'Initial Stages of Oxygen Chemisorption on the Ge(001) Surface', JOURNAL OF PHYSICAL CHEMISTRY C, 118 15795-15803 (2014) [C1]
DOI10.1021/jp503541nAuthor URL
Co-authorsPhil Smith
2014Smith PV, Belcher DR, Ponomarenko O, Saraireh SA, Radny MW, 'Interaction of acetone with the Ge(001) surface', RSC ADVANCES, 4 12672-12679 (2014)
DOI10.1039/c3ra47591cAuthor URL
Co-authorsPhil Smith
2014Smith PV, Belcher DR, Ponomarenko O, Saraireh SA, Radny MW, 'Interaction of acetone with the Ge(001) surface', RSC ADVANCES, 4 12672-12679 (2014) [C1]
DOI10.1039/c3ra47591cAuthor URL
CitationsScopus - 1
Co-authorsPhil Smith
2013Puchalska A, Racis A, Jurczyszyn L, Radny MW, 'Structural and electronic properties of chain-like structures formed by mixed PbAl dimers on Si(001) - Computational DFT study', SURFACE SCIENCE, 608 188-198 (2013) [C1]
DOI10.1016/j.susc.2012.10.006Author URL
CitationsScopus - 2Web of Science - 2
2013Smith PV, Radny MW, Shah GA, 'An improved density functional theory description of the Ge(100)c(4 x 2) surface using the MBJLDA xc potential and spin-orbit interactions', JOURNAL OF PHYSICS-CONDENSED MATTER, 25 (2013) [C1]
DOI10.1088/0953-8984/25/5/056007Author URL
CitationsScopus - 4Web of Science - 5
Co-authorsPhil Smith
2013Schofield SR, Warschkow O, Belcher DR, Rahnejat KA, Radny MW, Smith PV, 'Phenyl Attachment to Si(001) via STM Manipulation of Acetophenone', The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 117 5736-5741 (2013) [C1]
DOI10.1021/jp311261rAuthor URL
CitationsScopus - 3Web of Science - 3
Co-authorsPhil Smith
2012Belcher DR, Radny MW, Schofield SR, Smith PV, Warschkow O, 'Guided self-assembly of metal atoms on silicon using organic-molecule templating', Journal of the American Chemical Society, 134 15312-15317 (2012) [C1]
CitationsScopus - 5Web of Science - 6
Co-authorsPhil Smith
2012Smith PV, Hermanowicz M, Shah GA, Radny MW, 'Spin-orbit and modified Becke-Johnson potential effects on the electronic properties of bulk Ge: A density functional theory study', Computational Materials Science, 54 37-42 (2012) [C1]
CitationsScopus - 8Web of Science - 8
Co-authorsPhil Smith
2012Shah GA, Radny MW, Smith PV, Schofield SR, 'Slab thickness effects for the clean and adsorbed Ge(001) surface with comparison to Si(001)', Journal of Physical Chemistry C, 116 6615-6622 (2012) [C1]
CitationsScopus - 5Web of Science - 5
Co-authorsPhil Smith
2011Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Chlorination of the Cu(110) surface and copper nanoparticles: A density functional theory study', Journal of Physical Chemistry C, 115 13412-13419 (2011) [C1]
DOI10.1021/jp2036372
CitationsScopus - 8Web of Science - 9
Co-authorsEric Kennedy, Michael Gladys, Bogdan Dlugogorski, John Mackie, Phil Smith
2011Suleiman IA, Mackie JC, Kennedy EM, Radny MW, Dlugogorski BZ, 'Quantum chemical study of copper (II) chloride and the Deacon reaction', Chemical Physics Letters, 501 215-220 (2011) [C1]
DOI10.1016/j.cplett.2010.11.030
CitationsScopus - 7Web of Science - 7
Co-authorsEric Kennedy, Bogdan Dlugogorski, John Mackie
2011Smith PV, Warschkow O, Radny MW, Schofield SR, Belcher DR, 'Dimer pinning and the assignment of semiconductor-adsorbate surface structures', Journal of Chemical Physics, 134 064709 (2011) [C1]
DOI10.1063/1.3551618
CitationsScopus - 2Web of Science - 2
Co-authorsPhil Smith
2011Jurczyszyn L, Radny MW, Smith PV, 'Pb chain-like structures on the clean Si(001) surface - A DFT study', Surface Science, 605 1881-1888 (2011) [C1]
CitationsScopus - 1Web of Science - 1
Co-authorsPhil Smith
2011Warschkow O, Belcher DR, Radny MW, Schofield SR, Smith PV, 'Acetic acid on silicon (001): An exercise in chemical analogy', Physical Review B, 84 153302 (2011) [C1]
DOI10.1103/physrevb.84.153302
CitationsScopus - 2Web of Science - 3
Co-authorsPhil Smith
2011Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface', Physical Chemistry Chemical Physics, 13 10306-10311 (2011) [C1]
DOI10.1039/c0cp02211j
CitationsScopus - 7Web of Science - 8
Co-authorsBogdan Dlugogorski, Phil Smith, Michael Gladys, John Mackie, Eric Kennedy
2010Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Interaction of Chlorine and Oxygen with the Cu(100) Surface', The Journal of Physical Chemistry C, 114 19048-19054 (2010) [C1]
DOI10.1021/jp1078983
CitationsScopus - 4Web of Science - 4
Co-authorsEric Kennedy, Michael Gladys, John Mackie, Bogdan Dlugogorski, Phil Smith
2010Shah GA, Radny MW, Smith PV, Schofield SR, Curson NJ, 'Electronic effects of single H atoms on Ge(001) revisited', Journal of Chemical Physics, 133 014703 (2010) [C1]
DOI10.1063/1.3456736
CitationsScopus - 6Web of Science - 6
Co-authorsPhil Smith
2010Warschkow O, Marks NA, Schofield SR, Radny MW, Smith PV, McKenzie DR, 'Comment on 'Transformation of C-type defects on Si (1 0 0) - 2 x 1 surface at room temperature STM/STS study [Surf. Sci. 602 (2008) 2835]'', Surface Science, 604 235-236 (2010) [C1]
DOI10.1016/j.susc.2009.10.028
CitationsScopus - 1Web of Science - 1
Co-authorsPhil Smith
2010Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, et al., 'Adsorption of 2-chlorophenol on Cu2O(111)-CuCUS: A first-principles density functional study', Applied Surface Science, 256 4764-4770 (2010) [C1]
DOI10.1016/j.apsusc.2010.01.101
CitationsScopus - 4Web of Science - 4
Co-authorsPhil Smith, Bogdan Dlugogorski, Eric Kennedy, John Mackie
2010Radny MW, Smith PV, Jurczyszyn L, 'Adsorption-enhanced reactivity of the In/Si(001) system', Physical Review B, 81 085424 (2010) [C1]
DOI10.1103/PhysRevB.81.085424
CitationsScopus - 7Web of Science - 5
Co-authorsPhil Smith
2009Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, et al., 'A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO', Journal of Chemical Physics, 130 184505 (2009) [C1]
DOI10.1063/1.3123534
CitationsScopus - 6Web of Science - 4
Co-authorsJohn Mackie, Eric Kennedy, Phil Smith, Bogdan Dlugogorski
2009Belcher DR, Schofield SR, Warschkow O, Radny MW, Smith PV, 'Carbonyl mediated attachment to silicon: Acetaldehyde on Si(001)', Journal of Chemical Physics, 131 104707 (2009) [C1]
DOI10.1063/1.3224174
CitationsScopus - 4Web of Science - 4
Co-authorsPhil Smith
2009Radny MW, Shah GA, Schofield SR, Smith PV, Curson NJ, 'Reply to Comment on 'Valence Surface Electronic States on Ge(001)'', Physical Review Letters, 103 189702 (2009) [C3]
DOI10.1103/physrevlett.103.189702
CitationsScopus - 7Web of Science - 8
Co-authorsPhil Smith
2009Warschkow O, Gao I, Schofield SR, Belcher DR, Radny MW, Saraireh S, Smith PV, 'Acetone on silicon (001): Ambiphilic molecule meets ambiphilic surface', Physical Chemistry Chemical Physics, 11 2747-2759 (2009) [C1]
DOI10.1039/b815542a
CitationsScopus - 12Web of Science - 10
Co-authorsPhil Smith
2008Warschkow O, Schofield SR, Marks NA, Radny MW, Smith PV, McKenzie DR, 'Water on silicon (001): C defects and initial steps of surface oxidation', Physical Review B: Condensed Matter and Materials Physics, 77 (2008) [C1]
DOI10.1103/physrevb.77.201305
CitationsScopus - 16Web of Science - 16
Co-authorsPhil Smith
2008Radny MW, Shah GA, Smith PV, Schofield SR, Curson NJ, 'Electronic effects induced by single hydrogen atoms on the Ge(001) surface', Journal of Chemical Physics, 128 244707/1-244707/8 (2008) [C1]
DOI10.1063/1.2938091
CitationsScopus - 5Web of Science - 6
Co-authorsPhil Smith
2008Radny MW, Shah GA, Schofield SR, Smith PV, Curson NJ, 'Valence surface electronic states on Ge(001)', Physical Review Letters, 100 246807/1-246807/4 (2008) [C1]
DOI10.1103/physrevlett.100.246807
CitationsScopus - 21Web of Science - 23
Co-authorsPhil Smith
2008Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, '2-chlorophenol adsorption on Cu(100): First-principles density functional study', Surface Science, 602 1554-1562 (2008) [C1]
DOI10.1016/j.susc.2008.02.029
CitationsScopus - 7Web of Science - 8
Co-authorsJohn Mackie, Phil Smith, Bogdan Dlugogorski, Eric Kennedy
2008Saraireh S, Smith PV, Radny MW, Schofield SR, King BV, 'Interaction of acetone with the Si(0 0 1) surface', Surface Science, 602 3484-3498 (2008) [C1]
DOI10.1016/j.susc.2008.08.027
CitationsScopus - 11Web of Science - 11
Co-authorsBruce King, Phil Smith
2008Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Adsorption of chlorophenol on the Cu(111) surface: A first-principles density functional theory study', Applied Surface Science, 254 4218-4224 (2008) [C1]
DOI10.1016/j.apsusc.2008.01.045
CitationsScopus - 7Web of Science - 7
Co-authorsEric Kennedy, Phil Smith, Bogdan Dlugogorski, John Mackie
2007Ponomarenko O, Radny MW, Smith PV, 'Clean and metal-doped bundles of boron-carbide nanotubes: A density functional study', Physical Review B - Condensed Matter and Materials Physics, 76 1-13 (2007) [C1]
DOI10.1103/physrevb.76.035414
CitationsScopus - 3Web of Science - 3
Co-authorsPhil Smith
2007Radny MW, Smith PV, Reusch TCG, Warschkow O, Marks NA, Wilson HF, et al., 'Single hydrogen atoms on the Si(001) surface', Physical Review B - Condensed Matter and Materials Physics, 76 1-13 (2007) [C1]
DOI10.1103/physrevb.76.155302
CitationsScopus - 18Web of Science - 21
Co-authorsPhil Smith
2007Radny MW, Kawazoe Y, 'Structure and stability of the Frank-Kasper W@Si12, and Ti@Si15 and Ti@Si16 clusters', Materials Transactions, 48 745-747 (2007) [C1]
DOI10.2320/matertrans.48.745
2007Belcher DR, Radny MW, King BV, 'Structure and stability of small bimetallic Al-based clusters: An ab initio DFT study', Materials Transactions, 48 689-692 (2007) [C1]
DOI10.2320/matertrans.48.689
CitationsScopus - 3Web of Science - 2
Co-authorsBruce King
2007Reusch TCG, Radny MW, Smith PV, Warschkow O, Marks NA, Curson NJ, et al., 'Single phosphorus atoms in Si(001): Doping-induced charge transfer into isolated Si dangling bonds', Journal of Physical Chemistry C, 111 6428-6433 (2007) [C1]
DOI10.1021/jp068834c
CitationsScopus - 3Web of Science - 3
Co-authorsPhil Smith
2007Schofield SR, Saraireh S, Smith PV, Radny MW, King BV, 'Organic bonding to silicon via a carbonyl group: New insights from atomic-scale images', Journal of the American Chemical Society, 129 11402-11407 (2007) [C1]
DOI10.1021/ja0719069
CitationsScopus - 20Web of Science - 19
Co-authorsBruce King, Phil Smith
2007Radny MW, Smith PV, Reusch TCG, Warschkow O, Marks NA, Shi HQ, et al., 'Single P and As dopants in the Si(001) surface', Journal of Chemical Physics, 127 1-9 (2007) [C1]
DOI10.1063/1.2786991
CitationsScopus - 2Web of Science - 2
Co-authorsPhil Smith
2007Reusch TCG, Warschkow O, Radny MW, Smith PV, Marks NA, Curson NJ, et al., 'Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)', Surface Science, 601 4036-4040 (2007) [C1]
DOI10.1016/j.susc.2007.04.072
CitationsScopus - 6Web of Science - 4
Co-authorsPhil Smith
2007Saraireh SA, Schofield SR, Smith PV, Radny MW, King BV, 'Towards hybrid silicon-organic molecular electronics: The stability of acetone on the Si(0 0 1) surface', Surface Science, 601 5757-5761 (2007) [C1]
DOI10.1016/j.susc.2007.06.054
CitationsScopus - 4Web of Science - 3
Co-authorsPhil Smith, Bruce King
2006Cereda S, Montalenti F, Cogoni M, Branduardi D, Radny MW, Smith PV, Miglio L, 'Binding sites for SiH2/Si(0 0 1): A combined ab initio, tight-binding, and classical investigation', Surface Science, 600 4445-4453 (2006) [C1]
DOI10.1016/j.susc.2006.07.009
CitationsScopus - 6Web of Science - 6
Co-authorsPhil Smith
2006Ponomarenko O, Radny MW, Smith PV, 'Small-radius clean and metal-doped boron carbide nanotubes: A density functional study', Physical Review B, 74 (2006) [C1]
DOI10.1103/PhysRevB.74.125421
CitationsScopus - 10Web of Science - 11
Co-authorsPhil Smith
2006Wilson HF, Warschkow O, Marks NA, Curson NJ, Schofield SR, Reusch TCG, et al., 'Thermal dissociation and desorption of PH3 on Si(001): A reinterpretation of spectroscopic data', Physical Review B, 74 (2006) [C1]
DOI10.1103/PhysRevB.74.195310
CitationsScopus - 22Web of Science - 22
Co-authorsPhil Smith
2006Schofield SR, Curson NJ, Warschkow O, Marks NA, Wilson HF, Simmons MY, et al., 'Phosphine dissociation and diffusion on Si(001) observed at the atomic scale', Journal of Physical Chemistry B, 110 3173-3179 (2006) [C1]
DOI10.1021/jp054646v
CitationsScopus - 13Web of Science - 12
Co-authorsPhil Smith
2005Ponomarenko O, Radny MW, Smith PV, 'Structure and energetics of hydrogenated and dehydrogenated carbon tori', Carbon, 43 1165-1173 (2005) [C1]
DOI10.1016/j.carbon.2004.12.007
CitationsScopus - 1Web of Science - 1
Co-authorsPhil Smith
2005Shi H, Radny MW, Smith PV, 'Atomic and electronic structure of the Si(001)-Rb chemisorption system at 0.5 and 1.0 monolayer coverage', Physical Review B, 71 (2005) [C1]
DOI10.1103/PhysRevB.71.085307
Co-authorsPhil Smith
2005Warschkow O, Wilson HF, Marks NA, Schofield SR, Curson NJ, Smith PV, et al., 'Phosphine adsorption and dissociation on the Si(001) surface: An ab initio survey of structures', Physical Review B, 72 (2005) [C1]
DOI10.1103/PhysRevB.72.125328
CitationsScopus - 23Web of Science - 22
Co-authorsPhil Smith
2005McDonell TL, Marks NA, Warschkow O, Wilson HF, Smith PV, Radny MW, 'Molecular dissociation of group-V hydrides on Si(001)', Physical Review B, 72 4 (2005) [C1]
DOI10.1103/PhysRevB.72.193307
CitationsScopus - 11Web of Science - 10
Co-authorsPhil Smith
2005Shi H, Radny MW, Smith PV, 'Atomic and electronic structure of the Si(001)2x1-Li chemisorption system at 1.0 monolayer coverage', Surface Science, 574 233-243 (2005) [C1]
DOI10.1016/j.susc.2004.10.046
CitationsScopus - 4Web of Science - 4
Co-authorsPhil Smith
2004Warschkow O, Marks N, Schofield SR, Curson N, Smith PV, Radny MW, et al., 'Phosphine dissociation on the Si(001) surface', PHYSICAL REVIEW LETTERS, 93 Art.No. 226102 (2004) [C1]
DOI10.1103/PhysRevLett.93.226102
CitationsScopus - 46Web of Science - 45
Co-authorsPhil Smith
2004Shi H, Radny MW, Smith PV, 'Atomic and electronic structure of the Si(001)2 x 1-K surface', SURFACE SCIENCE, 561 215-226 (2004) [C1]
DOI10.1016/j.susc.2004.05.091
CitationsScopus - 6Web of Science - 6
Co-authorsPhil Smith
2004Ponomarenko O, Radny MW, Smith PV, 'Energetics of finite, clean and hydrogenated silicon nanotubes', SURFACE SCIENCE, 562 257-268 (2004) [C1]
DOI10.1016/j.susc.2004.06.105
CitationsScopus - 21Web of Science - 19
Co-authorsPhil Smith
2004Shi H, Radny MW, Smith PV, 'Atomic and electronic stucture of the Si(001)2x2-Li chemisorption system at 0.5 monolayer coverage', PHYSICAL REVIEW B, 69 Art.No 235328 (2004) [C1]
DOI10.1103/PhysRevB.69.235328
CitationsScopus - 11Web of Science - 11
Co-authorsPhil Smith
2004Shi H, Radny MW, Smith PV, 'Atomic and electronic structure of the K/Si(111)v3xv3R30°-B chemisorption system', Physical Review B, 70 - (2004) [C1]
DOI10.1103/PhysRevB.70.235325
CitationsScopus - 14Web of Science - 14
Co-authorsPhil Smith
2004Radny MW, Duval AB, 'Perception and effectiveness of an eGrade online tutorial/assessment scheme in introductory physics courses', CAL laborate, 19-23 (2004) [C3]
2003Que J-Z, Radny MW, Smith PV, 'Evaluation of different models for the dissociation of silane on the Si(111)7 x 7 surface using the extended Brenner empirical potential', Surface Science, 540 265-273 (2003) [C1]
DOI10.1016/S0039-6028(03)00838-0
CitationsScopus - 2Web of Science - 1
Co-authorsPhil Smith
2003Shi HQ, Radny MW, Smith PV, 'Boron segregation on the Si(111)root 3x root 3R30 degrees surface', SURFACE REVIEW AND LETTERS, 10 201-205 (2003)
DOI10.1142/S0218625X03004780Author URL
CitationsWeb of Science - 4
Co-authorsPhil Smith
2003Shi H, Radny MW, Smith PV, 'Boron segregation on the Si(111) v3 × v3-R30° surface', Surface Review and Letters, 10 201-205 (2003)

In this paper we report the results of calculations of the energies associated with the segregation of boron on the Si(111)v3 × v3R30° surface. These calculations have been carried out using the plane wave pseudopotential density functional code fhi98md in a periodic slab formalism. The segregation energy is predicted to be -0.77 eV. This prediction is intermediate between the "experimentally determined" values of -0.33 eV and -0.48 eV, and the values of -1.83 eV and -2.10 eV determined from AM1 cluster calculations. Additional information has been obtained by performing ab initio density functional cluster calculations using the Gaussian98 code. These latter results indicate that the AM1 calculations significantly overestimate the segregation energy of boron on the Si(111)v3 × v3-R30° surface. They also provide strong support for the fhi98md calculations.

CitationsScopus - 5
2003Ponomarenko O, Radny MW, Smith PV, 'Energetics and stability within the microscopic, empirical model for finite, open-ended, single-walled carbon nanotubes', Physics Letters A: General, Atomic and Solid State Physics, 310 203-206 (2003) [C1]
DOI10.1016/S0375-9601(03)00287-1
CitationsScopus - 3Web of Science - 2
Co-authorsPhil Smith
2003Ponomarenko O, Radny MW, Smith PV, Seifert G, 'Properties of boron carbide nanotubes: Density-functional-based tight-binding calculations', Physical Review B: Condensed Matter and Materials Physics, 67 - (2003) [C1]
DOI10.1103/PhysRevB.67.125401
CitationsScopus - 14Web of Science - 15
Co-authorsPhil Smith
2002Radny MW, 'Kleiber and Planck: The missing link?', SCIENCE, 298 59-60 (2002)
DOI10.1126/science.298.5591.59Author URL
2002Shi HQ, Radny MW, Smith PV, 'Electronic structure of the Si(111)v3xv3R30°-B surface', Physical Review B - Condensed Matter and Materials Physics, 66 853291-853298 (2002)

The plane-wave pseudopotential density functional theory (DFT) package FHI98MD has been used to optimize the geometry of the Si(111) v3xv3R30°-B(S

5) configuration. The resultant geometry has been found to be in excellent agreement with recent experimental results. By calculating the band structure for the B(S

5) configuration and carefully analyzing the nature of the wave functions in the vicinity of the Fermi energy, we have been able to identify the surface states along the various symmetry directions of the surface Brillouin zone (SBZ). The overall dispersion of both the occupied and unoccupied surface state bands is found to be in excellent agreement with the angle-resolved photoemission data. The theoretical calculations also predict the occurrence of two occupied surface state bands at the G and M points of the SBZ. The splitting of these bands is predicted to be 0.27 eV and 0.35 eV, respectively, in good agreement with experiment.

CitationsScopus - 17
2002Shi HQ, Radny MW, Smith PV, 'Electronic structure of the Si(111)root 3x root 3R30 degrees-B surface', PHYSICAL REVIEW B, 66 (2002)
DOI10.1103/PhysRevB.66.085329Author URL
CitationsWeb of Science - 20
Co-authorsPhil Smith
2001Wang S, Radny MW, Smith PV, 'First-principles electronic structure studies for the cluster modeled Si/Si(111) chemisorption system', Journal of Chemical Physics, 114 436-444 (2001) [C1]
CitationsScopus - 4Web of Science - 6
Co-authorsPhil Smith
2000Que J-Z, Radny MW, Smith PV, Dyson AJ, 'Application of the extended Brenner potential to the Si(111) 7 x 7: H system I: cluster calculations', Surface Science, 444 123-139 (2000) [C1]
CitationsScopus - 13Web of Science - 12
Co-authorsPhil Smith
2000Que J-Z, Radny MW, Smith PV, 'Application of the extended Brenner potential to the Si(111)7 x 7:H system II: periodic calculations', Surface Science, 444 140-155 (2000) [C1]
CitationsScopus - 9Web of Science - 8
Co-authorsPhil Smith
2000Schofield SR, Radny MW, Smith PV, 'Energetics of single- and double-layer steps on the Si(001)2X1 surface calculated using the extended Brenner empirical potential', PHYSICAL REVIEW B, 62 10199-10206 (2000) [C1]
DOI10.1103/PhysRevB.62.10199Author URL
CitationsScopus - 9Web of Science - 9
Co-authorsPhil Smith
1999Que J-Z, Radny MW, Smith PV, 'Empirical Potential study of the dissociative chemisorption of Si2H6 on the Si(001)2x1 Surface', Physical Review B, 60 8686-8694 (1999) [C1]
CitationsScopus - 15Web of Science - 15
Co-authorsPhil Smith
1999Wang S, Radny MW, Smith PV, 'Mechanisms for the stability of Al and B adatoms on the Si(111)Root3xRoot3 R30 surface', Physical Review B, 59 1594-1597 (1999) [C1]
CitationsScopus - 9Web of Science - 11
Co-authorsPhil Smith
1998Wang S, Radny MW, Smith PV, 'Hydrogen chemisorption on the Si(111) Sqrt 3 x Sqrt 3 R30?-Al, -Ga, -B surfaces: an ab initio HF/DFT molecular orbital modelling using atomic clusters', Computational Materials Science, 10 99-104 (1998) [C1]
Co-authorsPhil Smith
1998Wang S, Radny MW, Smith PV, 'Ab initio HF/DFT studies of the chemisorption of hydrogen on the cluster simulated Si (111)-(Sqrt 3 x Sqrt 3)R30?-Al and -Ga surfaces', Surface Science, 396 40-51 (1998) [C1]
CitationsScopus - 7Web of Science - 7
Co-authorsPhil Smith
1997Wang SW, Radny MW, Smith PV, 'Segregation of boron on the cluster-modeled Si(111)root 3x root 3R30 degrees-B hydrogenated surface', PHYSICAL REVIEW B, 56 3575-3578 (1997)
DOI10.1103/PhysRevB.56.3575Author URL
CitationsWeb of Science - 14
Co-authorsPhil Smith
1997Wang SW, Radny MW, Smith PV, 'Ab initio cluster calculations of the chemisorption of hydrogen on the Si(111)root 3x root 3R30 degrees-B surface', SURFACE SCIENCE, 394 235-249 (1997)
DOI10.1016/S0039-6028(97)00596-7Author URL
CitationsScopus - 15Web of Science - 13
Co-authorsPhil Smith
1997Que JZ, Radny MW, Smith PV, 'Hartree-Fock-DFT cluster calculations of the Si(111)7x7:H system', SURFACE SCIENCE, 391 161-175 (1997)
DOI10.1016/S0039-6028(97)00479-2Author URL
CitationsScopus - 7Web of Science - 6
Co-authorsPhil Smith
1997Wang S, Radny MW, Smith PV, 'Segregation of boron on the cluster-modeled Si(111)v3×v3R30°-B hydrogenated surface', Physical Review B - Condensed Matter and Materials Physics, 56 3575-3578 (1997)

First-principles all-electron density-functional-theory cluster calculations have been performed to investigate the chemisorption of atomic hydrogen on the cluster-modeled Si(111)v3×v3R30°-B surface. It has been found that a boron atom will most likely occupy a subsurface substitutional S5 site at low hydrogen coverages (=0.67 ML), but appear as an adatom at an on-top site directly above one of the first-layer silicon atoms for hydrogen exposures greater than 0.67 ML.

CitationsScopus - 15
1997Wang SW, Radny MW, Smith PV, 'Boron, hydrogen and silicon adatoms on the Si(111) surface: An ab initio Hartree-Fock/density functional cluster study', JOURNAL OF PHYSICS-CONDENSED MATTER, 9 4535-4547 (1997)
DOI10.1088/0953-8984/9/22/006Author URL
CitationsScopus - 15Web of Science - 15
Co-authorsPhil Smith
1996Radny MW, Smith PV, Cao PL, 'Chemisorption of fluorine onto the cluster modelled Si(111)7X7 surface: An ab initio Hartree-Fock/DFT study', SURFACE SCIENCE, 351 75-86 (1996)
DOI10.1016/0039-6028(95)01353-9Author URL
CitationsScopus - 4Web of Science - 4
Co-authorsPhil Smith
1996Radny MW, Smith PV, Cao PL, 'An ab initio Hartree-Fock/density functional study of the cluster simulated Si(111)7x7:Cl adsorption system', SURFACE SCIENCE, 365 15-28 (1996)
DOI10.1016/0039-6028(96)00696-6Author URL
CitationsScopus - 8Web of Science - 8
Co-authorsPhil Smith
1996Stephenson PCL, Radny MW, Smith PV, 'A modified Stillinger-Weber potential for modelling silicon surfaces', SURFACE SCIENCE, 366 177-184 (1996)
DOI10.1016/0039-6028(96)00801-1Author URL
CitationsScopus - 13Web of Science - 12
Co-authorsPhil Smith
1996Que JZ, Radny MW, Smith PV, 'High exposure hydrogen chemisorption on the Si(111)7x7 surface: A semiempirical cluster study', JOURNAL OF PHYSICS-CONDENSED MATTER, 8 4205-4222 (1996)
DOI10.1088/0953-8984/8/23/013Author URL
CitationsScopus - 6Web of Science - 6
Co-authorsPhil Smith
1995RADNY MW, SMITH PV, 'AN AB-INITIO HARTREE-FOCK STUDY OF THE B/SI(001)2X1 ADSORPTION SYSTEM', VACUUM, 46 419-423 (1995)
DOI10.1016/0042-207X(94)00097-2Author URL
CitationsScopus - 3Web of Science - 3
Co-authorsPhil Smith
1994RADNY MW, SMITH PV, 'HALF MONOLAYER AND MONOLAYER CHEMISORPTION OF FLUORINE ON THE SILICON(002) 2X2 SURFACE', SURFACE SCIENCE, 301 97-104 (1994)
DOI10.1016/0039-6028(94)91291-2Author URL
CitationsScopus - 5Web of Science - 7
Co-authorsPhil Smith
1994RADNY MW, SMITH PV, 'A SLAB-MINDO STUDY OF HALF MONOLAYER AND MONOLAYER CHEMISORPTION OF CHLORINE ON THE SILICON(001) SURFACE', SURFACE SCIENCE, 319 232-242 (1994)
DOI10.1016/0039-6028(94)90590-8Author URL
CitationsScopus - 6Web of Science - 8
Co-authorsPhil Smith
1994RADNY MW, SMITH PV, 'CHEMISORPTION OF FLUORINE ON THE SILICON(001)2X1 SURFACE', VACUUM, 45 293-296 (1994)
DOI10.1016/0042-207X(94)90192-9Author URL
CitationsScopus - 3Web of Science - 3
Co-authorsPhil Smith
1992RADNY M, 'DYNAMIC EFFECTS ON IMAGE-INDUCED SURFACE RESONANCES AT NEARLY-FREE-ELECTRON METAL-SURFACES', PHYSICAL REVIEW B, 45 12015-12018 (1992)
DOI10.1103/PhysRevB.45.12015Author URL
1992KARPOWICZ A, RADNY M, 'METAL POLYMER VACUUM INTERFACE FORMATION IN THE HIGH STATIC ELECTRIC-FIELD', ACTA PHYSICA POLONICA A, 81 315-323 (1992)
Author URL
CitationsWeb of Science - 1
1992RADNY M, KARPOWICZ A, 'METAL POLYMER METAL SYSTEM IN THE HIGH STATIC ELECTRIC-FIELD', ACTA PHYSICA POLONICA A, 81 325-331 (1992)
Author URL
CitationsWeb of Science - 1
1991RADNY M, 'DIFFRACTION EFFECTS AND IMAGE INDUCED SURFACE RESONANCES FOR SIMPLE METAL-SURFACES', SURFACE SCIENCE, 247 143-152 (1991)
DOI10.1016/0039-6028(91)90120-HAuthor URL
CitationsScopus - 5Web of Science - 7
1991RADNY M, 'ELECTRONIC SURFACE-STATES WITHIN A NEW PHASE-SHIFT MULTIPLE-SCATTERING GREEN-FUNCTION APPROACH', JOURNAL OF PHYSICS-CONDENSED MATTER, 3 5525-5541 (1991)
DOI10.1088/0953-8984/3/29/007Author URL
CitationsScopus - 4Web of Science - 5
1990RADNY M, 'IMAGE INDUCED SURFACE RESONANCE OF CLEAN (001) AND (111) SURFACE OF ALUMINUM', SURFACE SCIENCE, 231 43-51 (1990)
DOI10.1016/0039-6028(90)90689-6Author URL
CitationsScopus - 11Web of Science - 12
1990RADNY M, 'THE IMAGE POTENTIAL AND RESONANT ELECTRON-STATES FOR NEARLY-FREE-ELECTRON METAL-SURFACES', PROGRESS IN SURFACE SCIENCE, 35 67-70 (1990)
DOI10.1016/0079-6816(90)90024-EAuthor URL
1990RADNY M, 'GREEN-FUNCTION AND PHASE-SHIFT MULTIPLE-REFLECTION THEORY FOR ELECTRONIC SURFACE-STATES', JOURNAL OF PHYSICS-CONDENSED MATTER, 2 4661-4665 (1990)
DOI10.1088/0953-8984/2/20/012Author URL
CitationsScopus - 4Web of Science - 5
1989RADNY M, KRYSTOF W, 'IMAGE EFFECTS IN THE FIELD-IONIZATION PHENOMENON', SURFACE SCIENCE, 213 270-276 (1989)
DOI10.1016/0039-6028(89)90286-0Author URL
1987STESLICKA M, RADNY M, PERKAL Z, JURCZYSZYN L, 'SURFACE-STATE BEHAVIOR GENERATED BY THE ELECTRIC-FIELD PLUS IMAGE POTENTIAL', SOLID STATE COMMUNICATIONS, 61 681-684 (1987)
DOI10.1016/0038-1098(87)90716-2Author URL
CitationsScopus - 2Web of Science - 3
1986STESLICKA M, RADNY M, DAVISON SG, 'EFFECTIVE-RANGE APPROXIMATION FOR SURFACE-STATES IN ONE DIMENSION', PHYSICAL REVIEW B, 34 5205-5207 (1986)
DOI10.1103/PhysRevB.34.5205Author URL
CitationsScopus - 1Web of Science - 1
1984STESLICKA M, RADNY M, 'SURFACE-STATES AND ADSORPTION IN AN EXTERNAL ELECTRIC-FIELD', JOURNAL DE PHYSIQUE, 45 65-70 (1984)
Author URL
1984STESLICKA M, RADNY M, 'LOCALIZED ELECTRONIC STATES NEAR THE OXIDED CRYSTAL-SURFACE', PHYSICA B & C, 124 239-246 (1984)
DOI10.1016/0378-4363(84)90080-9Author URL
CitationsWeb of Science - 3
Show 100 more journal articles

Conference (43 outputs)

YearCitationAltmetricsLink
2010Belcher DR, Radny MW, Smith PV, Zhou X, Schofield S, Warschkow O, 'Benzonitrile on the Si(001) surface', ICONN 2010 Poster Program, Sydney, NSW (2010) [E3]
Co-authorsPhil Smith, Xiaojing Zhou
2010Shah GA, Radny MW, Smith PV, 'Slab thickness effects in DFT calculations for clean and adsorbed Ge(001) and Si(001) surfaces', ICONN 2010 Poster Program, Sydney, NSW (2010) [E3]
Co-authorsPhil Smith
2009Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Dissociative adsorption of molecular oxygen on the Cu(001) surface: A density functional theory study', Proceedings of the Australian Combustion Symposium 2009, Brisbane, QLD (2009) [E1]
Co-authorsEric Kennedy, John Mackie, Michael Gladys, Phil Smith, Bogdan Dlugogorski
2008Shah GA, Radny MW, Smith PV, Schofield P, Curson N, 'Electronic structure of Ge(001) surface covered by isolated H atoms', IUMRS-ICEM 2008: International Conference on Electronic Materials 2008, Sydney (2008) [E3]
Co-authorsPhil Smith
2008Radny MW, Jurczyszyn L, Smith PV, Schofield SR, 'Electronic and structure characterisation of water induced defects on Si(001)', IUMRS-ICEM 2008: International Conference on Electronic Materials 2008, Sydney (2008) [E3]
Co-authorsPhil Smith
2008Belcher DR, Schofield SR, Radny MW, Smith PV, Warschkow O, 'Bonding of acetone and acetaldehyde to Si(001) via a carbonyl group: Atomic scale images and first principle calculations', IUMRS-ICEM 2008: International Conference on Electronic Materials 2008, Sydney (2008) [E3]
Co-authorsPhil Smith
2008Belcher DR, Schofield SR, Radny MW, Smith PV, 'Acetophenone on the Si (001) surface: Atomic scale images and first principles calculations', IUMRS-ICEM 2008: International Conference on Electronic Materials 2008, Sydney (2008) [E3]
Co-authorsPhil Smith
2008Shah GA, Radny MW, Smith PV, 'Electronic properties of isolated dangling bond on the hydrogen terminated Ge (001) surface', UMRS-ICEM 2008: International Conference on Electronic Materials 2008, Sydney (2008) [E3]
Co-authorsPhil Smith
2008Radny MW, 'Interaction of carbonyl compounds with the Si(001) surface - STM and DFT studies', X1-th Symposium on Surface Physics, Prague, Czech Republic (2008) [E3]
2007Radny MW, 'Single Organic Molecules on (001) Surface of Silicon: STM Measurements and First Principles Calculations', 1st National Conference on Nanotechnology. Abstracts, Wroclaw, Poland (2007) [E3]
2007Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, '2-chlorophenol adsorption on the Cu(001) and Cu(111) surfaces: First principles density functional study', 3rd International Workshop on Surface Physics Nanostructures on Surfaces. Programme and Abstracts, Polanica-Zdroj, Poland (2007) [E3]
Co-authorsJohn Mackie, Eric Kennedy, Bogdan Dlugogorski, Phil Smith
2007Radny MW, 'Organochemistry of silicon surfaces - interaction of carbonyl compounds with the Si(001) surface', 3rd International Workshop on Surface Physics: Nanostructures on Surfaces. Programme and Abstracts, Polanica Zdroj, Poland (2007) [E3]
2007Warschkow O, Wilson HF, Marks NA, Schofield SR, Curson NJ, Radny MW, et al., 'The mechanism of phosphine dissolution in the silicon (001) surface', 40th Silicon Symposium. Program and Abstracts Book, Victoria, BC (2007) [E3]
Co-authorsPhil Smith
2007Warschkow O, Schofield SR, Marks N, Smith PV, Radny MW, McKenzie D, 'Water on the silicon (001) surface: C-Defects and elementary steps of surface oxide formation', 40th Silicon Symposium. Program and Abstracts Book, Victoria, BC (2007) [E3]
Co-authorsPhil Smith
2007Reusch T, Radny MW, Smith PV, Warschkow O, Marks N, Curson N, et al., 'Single dangling bands on the silicon (001) surface: The influence of substrate doping on atomic-scale surface defects and adsorbates', 40th Silicon Symposium. Program and Abstracts Book, Victoria, BC (2007) [E3]
Co-authorsPhil Smith
2007Radny MW, 'Towards molecular electronics: Single adsorbates on semiconductor surfaces', General Meeting of ACCMS-VO. Abstracts, Sendai, Japan (2007) [E3]
2007Radny MW, 'Isolated adsorbates on SI(001) - Modeling from first principles', Materials and Austceram International Conference and Exhibition 2007. Proceedings, Sydney (2007) [E3]
2006Schofield SR, Curson NJ, Simmons MY, Warschkow O, Marks NA, Wilson HF, et al., 'Atomic-scale observation and control of the reaction of phosphine with silicone', Proceedings of ISSS-4, Saitama, Japan (2006) [E1]
Co-authorsPhil Smith
2006Schofield SR, Curson NJ, Simmons MY, Warschkow O, Marks NA, Wilson HF, et al., 'Atomic-scale observation and control of the reaction of phosphine with silicon', e-Journal of Surface Science and Nanotechnology, Tokyo (2006) [C1]
DOI10.1380/ejssnt.2006.609
CitationsScopus - 3
Co-authorsPhil Smith
2006Schofield SR, Saraireh S, Smith PV, Radny MW, King BV, 'Acetone on Si(001) - an adsorption study for silicon-based molecular electronics', Proceedings of the 2006 International Conference on Nanoscience and Nanotechnology, Brisbane, Australia (2006) [E1]
Co-authorsBruce King, Phil Smith
2006Schofield SR, Saraireh SA, Smith PV, Radny MW, King BV, 'Acetone on Si(001) - an adsorption study for silicon-based molecular electronics', 2006 INTERNATIONAL CONFERENCE ON NANOSCIENCE AND NANOTECHNOLOGY, VOLS 1 AND 2, Brisbane, AUSTRALIA (2006)
Author URL
Co-authorsBruce King, Phil Smith
2005Schofield SR, Curson NJ, Warschkow O, Marks NA, Wilson HF, Simmons MY, et al., 'Towards the routine fabrication of P in Si nanostructures: Understanding P precursor molecules on Si(001)', Semiconductor Defect Engineering-Materials, Synthetic Structures and Devices, San Francisco, CA (2005)
Author URL
Co-authorsPhil Smith
2005Curson NJ, Schofield SR, Warschkow O, Marks NA, Wilson HF, Radny MW, et al., 'A Comprehensive Study of Adsorption, Dissociation and Diffusion Processes Occurring on the PH3 Dosed Si(001) Surface', Spring Meeting MRS: Abstracts, San Francisco, USA (2005) [E3]
Co-authorsPhil Smith
2005Radny MW, Duval AB, 'Mixing knowledge, attitude and experience-teamwork approach in the 1st year undergraduate physics laboratory', Proceedings of the Blended Learning in Science Teaching and Learning, Sydney, Australia (2005) [E1]
2005Schofield SR, Curson NJ, Warschkow O, Marks NA, Wilson HF, Simmons MY, et al., 'Towards the routine fabrication of P in Si nanostructures: Understanding P precursor molecules on Si(001)', Semiconductor Defect Engineering - Materials, Synthetic Structures and Devices, San Francisco, USA (2005) [E1]
Co-authorsPhil Smith
2005Schofield SR, Curson NJ, Warschkow O, Marks NA, Wilson HF, Simmons MY, et al., 'Atomic-scale observation and control of the reaction of phosphine with silicon', International Symposium on Surface Science and Nanotechnology: Abstracts, Omiya Sonic City, Japan (2005) [E3]
Co-authorsPhil Smith
2005Schofield SR, Curson NJ, Wilson HF, Marks NA, Warschkow O, Ruess FJ, et al., 'Atomically-Precise Positioning of Phosphorus in Silicon using STM', Spring Meeting MRS: Abstracts, San Francisco, USA (2005) [E3]
Co-authorsPhil Smith
2005Warschkow O, Wilson HF, Marks NA, Schofield SR, Curson NJ, Smith PV, et al., 'Mechanism of Phosphine Dissociation on the Si(001) Surface', Spring Meeting MRS: Abstracts, San Francisco, USA (2005) [E3]
Co-authorsPhil Smith
2004Radny MW, Briere T, Smith PV, Kawazoe Y, 'Ti Si 15 clusters on the Si(001) surface', Book of Abstracts, University of Wollongong (2004) [E3]
Co-authorsPhil Smith
2004Ponomarenko O, Radny MW, Smith PV, 'CLEAN AND METAL-DOPED BORON-CARBIDE NANOTUBULAR STRUCTURES: AN AB INITIO DFT STUDY', Book of Abstracts, University of Wollongong (2004) [E3]
Co-authorsPhil Smith
2004Shi H, Radny MW, Smith PV, 'CHEMISORPTION OF ALKALI METALS ON THE Si(001) 2x1 SURFACE', Book of Abstracts, The University of Wollongong (2004) [E3]
Co-authorsPhil Smith
2004Radny MW, 'Science learning environment - outside-class experience: design, evaluation and challenge', Proceedings, The University of Sydney (2004) [E2]
2004Ponomarenko O, Radny MW, Smith PV, 'Carbon-based Toroidal Nanostructures', Conference Handbook, Charles Sturt University, Wagga Wagga (2004) [E3]
Co-authorsPhil Smith
2004Ponomarenko O, Radny MW, Smith PV, 'Finite Hydrogenated Silicon Nanotubes and Toroids', Conference Handbook, Charles Sturt University, Wagga Wagga (2004) [E3]
Co-authorsPhil Smith
2001Radny MW, Smith PV, 'Energetics in Single-Walled, Open-ended Carbon Nanotubes', Australian Workshop on Nanotubes and Fullerenes, Canberra (2001) [E3]
Co-authorsPhil Smith
2001Shi H, Radny MW, Smith PV, 'Theoretical Calculations of the Si(111)rt3xrt3R30-B and Si(001)2x1-K Chemisorption Systems', CMT25, Canberra (2001) [E3]
Co-authorsPhil Smith
2000Radny MW, Smith PV, 'Chemistry of the open ended, finite carbon nanotubes', 10th Gordon Godfrey Workshop on Condensed Matter - Abstracts, University of NSW, Sydney (2000) [E3]
Co-authorsPhil Smith
2000Que J-Z, Radny MW, Smith PV, 'The dissociative chemisorption of silane on the SI(iii) 7 X 7 surface', 14th National Congress of the Australian Institute of Physics, Adelaide (2000) [E3]
Co-authorsPhil Smith
2000Wang S, Radny MW, Smith PV, 'Ab initio Cluster Calculations for Adsorption of Aluminium and Boron Atoms on Si(111)', American Chemical Society 220th National Meeting - Abstracts, Washington DC, USA August 20-24, 2000. (2000) [E3]
Co-authorsPhil Smith
2000Radny MW, Smith PV, 'Simple Energetics of Single-Walled, Open-Ended, Finite Carbon Nanotubes', Electronic Properties of Novel Materials-Molecular Nanostructures, Kirchberg, Tirol, Austria (2000) [E2]
CitationsWeb of Science - 2
Co-authorsPhil Smith
2000Radny MW, Smith PV, 'Theoretical studies of single-walled, open-ended, finite carbon nanotubes', Tenth International Conference on Solid Films and Surfaces ICSFS-10 Program and Abstracts, Princeton, USA (2000) [E3]
Co-authorsPhil Smith
2000Schofield SR, Radny MW, Smith PV, 'Energetics of single and double layer steps on the SI(001) 2 x 1 surface using the extended Brenner empirical potential', Twenty fourth ANZIP Condensed Matter Physics Meeting Handbook, Wagga Wagga, Australia (2000) [E3]
Co-authorsPhil Smith
2000Que J-Z, Radny MW, Smith PV, 'Empirical potential study of the dissociative chemisorption of SI2H6 on the SI(001) 2 x 1 surface', Twenty-Fourth ANZIP Condensed Matter Physics Meeting Handbook, Wagga Wagga, Australia (2000) [E3]
Co-authorsPhil Smith
Show 40 more conferences
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Grants and Funding

Summary

Number of grants29
Total funding$1,772,902

Click on a grant title below to expand the full details for that specific grant.


20133 grants / $333,000

Fires of Halogenated Industrial Chemicals and Their Impact on the Australian Environment$310,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamConjoint Professor Bogdan Dlugogorski, Associate Professor Marian Radny
SchemeDiscovery Projects
RoleInvestigator
Funding Start2013
Funding Finish2013
GNoG1200363
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

Fires of Halogenated Industrial Chemicals and Their Impact on the Australian Environment$21,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamConjoint Professor Bogdan Dlugogorski, Associate Professor Marian Radny
SchemeDiscovery Projects
RoleLead
Funding Start2013
Funding Finish2013
GNoG1400920
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

Faculty PVC Conference Assistance Grant 2013$2,000

Funding body: University of Newcastle - Faculty of Science & IT

Funding bodyUniversity of Newcastle - Faculty of Science & IT
Project TeamAssociate Professor Marian Radny
SchemePVC Conference Assistance Grant
RoleLead
Funding Start2013
Funding Finish2013
GNoG1401175
Type Of FundingInternal
CategoryINTE
UONY

20091 grants / $560,000

Fires of pesticides: New source of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) in the environment$560,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamConjoint Professor Bogdan Dlugogorski, Professor Eric Kennedy, Conjoint Professor John Mackie, Associate Professor Marian Radny, Associate Professor Michael Stockenhuber, Professor Michael Delichatsios, Professor George Hadjisophocleous
SchemeDiscovery Projects
RoleInvestigator
Funding Start2009
Funding Finish2009
GNoG0188729
Type Of FundingAust Competitive - Commonwealth
Category1CS
UONY

20081 grants / $2,500

11th Symposium on Surface Physics, Praque (Czech Republic), 30/6/2008 - 4/7/2008$2,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start2008
Funding Finish2008
GNoG0189132
Type Of FundingInternal
CategoryINTE
UONY

20071 grants / $2,500

1st National Conference on Nanotechnology, Poland, 26/4/2007 - 29/4/2007$2,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start2007
Funding Finish2007
GNoG0187704
Type Of FundingInternal
CategoryINTE
UONY

20063 grants / $739,522

Nanostructure Deposition Facility$180,240

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamProfessor Paul Dastoor, Professor John O'Connor, Professor Erica Wanless, Associate Professor Marian Radny, Professor Robert Lamb, Dr Paul Meredith, Associate Professor Michael Ford, Dr Gerard Gadd, Dr Peter Evans, Professor Gordon Wallace, Associate Professor Peter Innis, Dr Andrew Minett, Dr Jeffrey Reimers, Professor Maxwell Crossley, Emeritus Pr Noel Hush, Dr Kostya Ostrikov, Professor David McKenzie
SchemeLinkage Infrastructure Equipment & Facilities (LIEF)
RoleInvestigator
Funding Start2006
Funding Finish2006
GNoG0185533
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

Towards molecular electronics - molecular chemisorption on semiconductor surfaces$10,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny, Dr Steven Schofield
SchemePilot Grant
RoleLead
Funding Start2006
Funding Finish2006
GNoG0186718
Type Of FundingInternal
CategoryINTE
UONY

20053 grants / $15,440

Theoretical Studies of the Initial Stages Involved in the Fabrication of a Silicon-Based Quantum Computer$8,200

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Phillip Smith, Associate Professor Marian Radny
SchemeProject Grant
RoleInvestigator
Funding Start2005
Funding Finish2005
GNoG0184639
Type Of FundingInternal
CategoryINTE
UONY

Modelling of clean and metal-doped boron-carbide nanotubular bundle structures formed from high temperature superconducting compounds$5,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny, Associate Professor Phillip Smith
SchemeProject Grant
RoleLead
Funding Start2005
Funding Finish2005
GNoG0184775
Type Of FundingInternal
CategoryINTE
UONY

3rd Conference of the Asian Consortium for Computational Materials Science, 8-11 September 2005$2,240

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start2005
Funding Finish2005
GNoG0185760
Type Of FundingInternal
CategoryINTE
UONY

20042 grants / $22,500

Theoretical (Computational) Studies of Silicon-based Nanostructures$14,000

Funding body: Australian Academy of Science

Funding bodyAustralian Academy of Science
Project Team
SchemeJapan Society for the Promotion of Science Postdoctoral Fellowship
RoleLead
Funding Start2004
Funding Finish2004
GNo
Type Of FundingExternal
CategoryEXTE
UONY

Silicon nanostructures for nanotechnology$8,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny, Associate Professor Phillip Smith
SchemeProject Grant
RoleLead
Funding Start2004
Funding Finish2004
GNoG0183401
Type Of FundingInternal
CategoryINTE
UONY

20031 grants / $1,652

11th Foresight Conference on Molecular Technology. USA 9-12 Oct 2003$1,652

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start2003
Funding Finish2003
GNoG0183582
Type Of FundingInternal
CategoryINTE
UONY

20021 grants / $10,000

Energetic model for single-walled, open-ended, finite carbon and non carbon nanotubes$10,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeProject Grant
RoleLead
Funding Start2002
Funding Finish2002
GNoG0181464
Type Of FundingInternal
CategoryINTE
UONY

20011 grants / $10,000

Chemisorption on Single-Walled, Open-Ended, Finite Carbon Nanotubes - Theoretical Studies.$10,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny, Associate Professor Phillip Smith
SchemeProject Grant
RoleLead
Funding Start2001
Funding Finish2001
GNoG0180001
Type Of FundingInternal
CategoryINTE
UONY

20003 grants / $21,978

Theoretical Studies of the Adsorption of Alkali Metals on Boron Modified Silicon Surfaces.$12,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Phillip Smith, Associate Professor Marian Radny
SchemeProject Grant
RoleInvestigator
Funding Start2000
Funding Finish2000
GNoG0178870
Type Of FundingInternal
CategoryINTE
UONY

THEORETICAL STUDIES OF CARBON NANOTUBE INTERFACES$8,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeProject Grant
RoleLead
Funding Start2000
Funding Finish2000
GNoG0178852
Type Of FundingInternal
CategoryINTE
UONY

XIV International Winter School on Electronic Properties of Novel Materials/Molecular Nanostructures Kirchberg, Austria.$1,978

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start2000
Funding Finish2000
GNoG0180245
Type Of FundingInternal
CategoryINTE
UONY

19972 grants / $8,126

Data analysis in relation to adsorption on semiconductor surfaces$6,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeProject Grant
RoleLead
Funding Start1997
Funding Finish1997
GNoG0176734
Type Of FundingInternal
CategoryINTE
UONY

Computational Modelling of Issues on Materials Sciences, Strasbourg, France, 15-20 June 1997$2,126

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start1997
Funding Finish1997
GNoG0179548
Type Of FundingInternal
CategoryINTE
UONY

19961 grants / $3,500

Molecular dynamics simulations of semiconducter surfaces$3,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeProject Grant
RoleLead
Funding Start1996
Funding Finish1996
GNoG0175797
Type Of FundingInternal
CategoryINTE
UONY

19953 grants / $30,000

Application of density functional theory to surfaces.$12,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeNew Staff Grant
RoleLead
Funding Start1995
Funding Finish1995
GNoG0174724
Type Of FundingInternal
CategoryINTE
UONY

Application of Density Functional Theory to Surfaces$12,500

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeNew Staff Grant
RoleLead
Funding Start1995
Funding Finish1995
GNoG0175155
Type Of FundingInternal
CategoryINTE
UONY

Application of Density Functional Theory to Surfaces$5,000

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamAssociate Professor Marian Radny, Associate Professor Phillip Smith
SchemeSmall Grant
RoleLead
Funding Start1995
Funding Finish1995
GNoG0174879
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

19942 grants / $9,184

Etching of Silicon Surfaces by Atomic Fluorine and Chlorine$7,500

Funding body: ARC (Australian Research Council)

Funding bodyARC (Australian Research Council)
Project TeamAssociate Professor Phillip Smith, Associate Professor Marian Radny
SchemeSmall Grant
RoleInvestigator
Funding Start1994
Funding Finish1994
GNoG0174825
Type Of FundingScheme excluded from IGS
CategoryEXCL
UONY

17th International Seminar on Surface Physics - Kudowa, Poland - 6-11 June 1994$1,684

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Marian Radny
SchemeTravel Grant
RoleLead
Funding Start1994
Funding Finish1994
GNoG0175120
Type Of FundingInternal
CategoryINTE
UONY

19931 grants / $3,000

Visit by Pei-Lin Cao, Deputy Chairman, Physics Department Zhejiang University, China Jan 94 - Dec 94.$3,000

Funding body: University of Newcastle

Funding bodyUniversity of Newcastle
Project TeamAssociate Professor Phillip Smith, Associate Professor Marian Radny
SchemeVisitor Grant
RoleInvestigator
Funding Start1993
Funding Finish1993
GNoG0174298
Type Of FundingInternal
CategoryINTE
UONY
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Research Supervision

Current Supervision

CommencedResearch Title / Program / Supervisor Type
2007Chemisorption on Si(001) for Molecular Electronics
Physics, University of Newcastle
Co-Supervisor
2005Catalytic Formation of Pollutants
Chemical Engineering, University of Newcastle
Co-Supervisor

Past Supervision

YearResearch Title / Program / Supervisor Type
2014Polar Organic Molecules on the Silicon (001) Surface
Physics, Faculty of Science and Information Technology
Principal Supervisor
2012A TDDFT Study of the Optical Absorption Spectra of Gold and Silver Clusters
Physics, Faculty of Science and Information Technology
Co-Supervisor
2011Catalytic Mechanism of the Deacon Reaction
Chemical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2008Theoretical Investigation on Formation and Destruction of Polychlorinated Dibenzo-p-Dioxins and Dibenzofurans (PCDD/Fs): Thermodynamic and Kinetic Studies
Chemical Engineering, Faculty of Engineering and Built Environment
Co-Supervisor
2006Theoretical Studies on Properties of Carbon and Non-Carbon Nanotubes
Physics, Faculty of Science and Information Technology
Principal Supervisor
2004Theoretical Studies of Metal Chemisorption on Silicon (001) and (111) Surfaces
Physics, Faculty of Science and Information Technology
Co-Supervisor
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Associate Professor Marian Radny

Position

Associate Professor
School of Mathematical and Physical Sciences
Faculty of Science and Information Technology

Focus area

Physics

Contact Details

Emailmarian.radny@newcastle.edu.au
Phone(02) 4921 5447
Fax(02) 4921 6907

Office

RoomP116
BuildingPhysics
LocationCallaghan
University Drive
Callaghan, NSW 2308
Australia
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