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2012
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Belcher Daniel Raymond, Radny Marian Wojciech, Schofield Steven R, Smith Phillip Vincent, Warschkow Oliver, 'Guided self-assembly of metal atoms on silicon using organic-molecule templating', Journal of the American Chemical Society, 134 15312-15317 (2012) [C1] |
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2012
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Shah Ghazanfar Ali, Radny Marian Wojciech, Smith Phillip Vincent, Schofield Steven R, '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] |
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2012
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Smith Phillip Vincent, Hermanowicz M, Shah Ghazanfar Ali, Radny Marian Wojciech, '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] |
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2011
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Jurczyszyn L, Radny Marian Wojciech, Smith Phillip Vincent, 'Pb chain-like structures on the clean Si(001) surface - A DFT study', Surface Science, 605 1881-1888 (2011) [C1] |
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2011
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Smith Phillip Vincent, Warschkow Oliver, Radny Marian Wojciech, Schofield Steven R, Belcher Daniel Raymond, 'Dimer pinning and the assignment of semiconductor-adsorbate surface structures', Journal of Chemical Physics, 134 064709 (2011) [C1] |
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2011
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Suleiman Ibrahim Ata, Radny Marian Wojciech, Gladys Michael James, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, 'An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface', Physical Chemistry Chemical Physics, 13 10306-10311 (2011) [C1] |
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2011
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Suleiman Ibrahim Ata, Radny Marian Wojciech, Gladys Michael James, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, 'Chlorination of the Cu(110) surface and copper nanoparticles: A density functional theory study', Journal of Physical Chemistry C, 115 13412-13419 (2011) [C1] |
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2011
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Warschkow O, Belcher Daniel Raymond, Radny Marian Wojciech, Schofield S R, Smith Phillip Vincent, 'Acetic acid on silicon (001): An exercise in chemical analogy', Physical Review B, 84 153302 (2011) [C1] |
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2010
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Altarawneh Mohammednoor, Radny Marian Wojciech, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, Soon Aloysius, Stampfl Catherine, 'Adsorption of 2-chlorophenol on Cu2O(111)-CuCUS: A first-principles density functional study', Applied Surface Science, 256 4764-4770 (2010) [C1] |
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2010
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Radny Marian Wojciech, Smith Phillip Vincent, Jurczyszyn L, 'Adsorption-enhanced reactivity of the In/Si(001) system', Physical Review B, 81 085424 (2010) [C1] |
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2010
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Shah Ghazanfar Ali, Radny Marian Wojciech, Smith Phillip Vincent, Schofield S R, Curson N J, 'Electronic effects of single H atoms on Ge(001) revisited', Journal of Chemical Physics, 133 014703 (2010) [C1] |
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2010
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Suleiman Ibrahim Ata, Radny Marian Wojciech, Gladys Michael James, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, 'Interaction of Chlorine and Oxygen with the Cu(100) Surface', The Journal of Physical Chemistry C, 114 19048-19054 (2010) [C1] |
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2010
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Warschkow Oliver, Marks Nigel A, Schofield Steven R, Radny Marian Wojciech, Smith Phillip Vincent, McKenzie David R, '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] |
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2009
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Altarawneh Mohammednoor, Radny Marian Wojciech, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, Soon Aloysius, Stampfl Catherine, 'A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO', Journal of Chemical Physics, 130 184505 (2009) [C1] |
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2009
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Belcher Daniel Raymond, Schofield Steven R, Warschkow Oliver, Radny Marian Wojciech, Smith Phillip Vincent, 'Carbonyl mediated attachment to silicon: Acetaldehyde on Si(001)', Journal of Chemical Physics, 131 104707 (2009) [C1] |
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2009
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Saraireh Sherin A, Smith Phillip Vincent, King Bruce Victor, Reimers Jeffrey R, Wallace Brian J, Crossley Maxwell J, 'Norbornadiene-based molecules for functionalizing the Si(001) surface', Journal of Physical Chemistry C, 113 16094-16103 (2009) [C1] |
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2009
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Warschkow Oliver, Gao Irene, Schofield Steven R, Belcher Daniel Raymond, Radny Marian Wojciech, Saraireh Sherin, Smith Phillip Vincent, 'Acetone on silicon (001): Ambiphilic molecule meets ambiphilic surface', Physical Chemistry Chemical Physics, 11 2747-2759 (2009) [C1] |
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2008
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Altarawneh Mohammednoor, Radny Marian Wojciech, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, '2-chlorophenol adsorption on Cu(100): First-principles density functional study', Surface Science, 602 1554-1562 (2008) [C1] |
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2008
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Altarawneh Mohammednoor, Radny Marian Wojciech, Smith Phillip Vincent, Mackie John Charles, Kennedy Eric Miles, Dlugogorski Bogdan Zygmunt, 'Adsorption of chlorophenol on the Cu(111) surface: A first-principles density functional theory study', Applied Surface Science, 254 4218-4224 (2008) [C1] |
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2008
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Radny Marian Wojciech, Shah Ghazanfar Ali, Schofield Steven Richard, Smith Phillip Vincent, Curson N J, 'Valence surface electronic states on Ge(001)', Physical Review Letters, 100 246807/1-246807/4 (2008) [C1] |
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2008
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Radny Marian Wojciech, Shah Ghazanfar Ali, Smith Phillip Vincent, Schofield Steven Richard, Curson N J, 'Electronic effects induced by single hydrogen atoms on the Ge(001) surface', Journal of Chemical Physics, 128 244707/1-244707/8 (2008) [C1] |
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2008
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Saraireh Sherin, Smith Phillip Vincent, Radny Marian Wojciech, Schofield Steven Richard, King Bruce Victor, 'Interaction of acetone with the Si(0 0 1) surface', Surface Science, 602 3484-3498 (2008) [C1] |
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2008
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Warschkow O, Schofield Steven Richard, Marks N A, Radny Marian Wojciech, Smith Phillip Vincent, McKenzie D R, 'Water on silicon (001): C defects and initial steps of surface oxidation', Physical Review B: Condensed Matter and Materials Physics, 77 201305-1 - 201305-4 (2008) [C1] |
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2007
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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2007
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Radny Marian Wojciech, Smith Phillip Vincent, Reusch T C G, Warschkow O, Marks N A, Shi H Q, McKenzie D R, Schofield Steven Richard, Curson N J, Simmons M Y, 'Single P and As dopants in the Si(001) surface', Journal of Chemical Physics, 127 1-9 (2007) [C1] |
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2007
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Radny Marian Wojciech, Smith Phillip Vincent, Reusch T C G, Warschkow O, Marks N A, Wilson H F, Schofield Steven Richard, Curson N J, McKenzie D R, Simmons M Y, 'Single hydrogen atoms on the Si(001) surface', Physical Review B - Condensed Matter and Materials Physics, 76 1-13 (2007) [C1] |
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2007
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Reusch T C G, Radny Marian Wojciech, Smith Phillip Vincent, Warschkow O, Marks N A, Curson N J, McKenzie D R, Simmons M Y, '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] |
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2007
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Reusch T C G, Warschkow O, Radny Marian Wojciech, Smith Phillip Vincent, Marks N A, Curson N J, McKenzie D R, Simmons M Y, 'Doping and STM tip-induced changes to single dangling bonds on Si(0 0 1)', Surface Science, 601 4036-4040 (2007) [C1] |
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2007
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Saraireh S A, Schofield Steven Richard, Smith Phillip Vincent, Radny Marian Wojciech, King Bruce Victor, 'Towards hybrid silicon-organic molecular electronics: The stability of acetone on the Si(0 0 1) surface', Surface Science, 601 5757-5761 (2007) [C1] |
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2007
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Schofield Steven Richard, Saraireh Sherin, Smith Phillip Vincent, Radny Marian Wojciech, King Bruce Victor, '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] |
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2006
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Cereda S, Montalenti F, Cogoni M, Branduardi D, Radny Marian Wojciech, Smith Phillip Vincent, 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] |
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2006
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, 'Small-radius clean and metal-doped boron carbide nanotubes: A density functional study', Physical Review B, 74 10 pages (2006) [C1] |
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2006
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Radny Marian Wojciech, Smith Phillip Vincent, Reusch T C G, Warschkow O, Marks N A, Wilson H F, Curson N J, Schofield Steven Richard, McKenzie D R, Simmons M Y, 'Importance of charging in atomic resolution scanning tunneling microscopy: Study of a single phosphorus atom in a Si(001) surface', Physical Review B, 74 113311-1 - 113311-4 (2006) [C1] |
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2006
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Schofield S R, Curson N J, Simmons M Y, Warschkow O, Marks N A, Wilson H F, McKenzie D R, Smith Phillip Vincent, Radny Marian Wojciech, 'Atomic-scale observation and control of the reaction of phosphine with silicon', e-Journal of Surface Science and Nanotechnology, 4 609-613 (2006) [C1] |
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2006
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Schofield Steven Richard, Curson N J, Warschkow O, Marks N A, Wilson H F, Simmons M Y, Smith Phillip Vincent, Radny Marian Wojciech, McKenzie D R, Clark R G, 'Phosphine dissociation and diffusion on Si(001) observed at the atomic scale', Journal of Physical Chemistry B, 110 3173-3179 (2006) [C1] |
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2006
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Wilson H F, Warschkow O, Marks N A, Curson N J, Schofield Steven Richard, Reusch T C G, Radny Marian Wojciech, Smith Phillip Vincent, McKenzie D R, Simmons M Y, 'Thermal dissociation and desorption of PH3 on Si(001): A reinterpretation of spectroscopic data', Physical Review B, 74 195310-1 - 195310-10 (2006) [C1] |
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2005
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McDonell T L, Marks N A, Warschkow O, Wilson H F, Smith Phillip Vincent, Radny Marian Wojciech, 'Molecular dissociation of group-V hydrides on Si(001)', Physical Review B, 72 4 (2005) [C1] |
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2005
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, 'Structure and energetics of hydrogenated and dehydrogenated carbon tori', Carbon, 43 1165-1173 (2005) [C1] |
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2005
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Atomic and electronic structure of the Si(001)-Rb chemisorption system at 0.5 and 1.0 monolayer coverage', Physical Review B, 71 9 pages (2005) [C1] |
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2005
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Atomic and electronic structure of the Si(001)2x1-Li chemisorption system at 1.0 monolayer coverage', Surface Science, 574 233-243 (2005) [C1] |
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2005
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Warschkow O, Wilson H F, Marks N A, Schofield Steven Richard, Curson N J, Smith Phillip Vincent, Radny Marian Wojciech, McKenzie D R, Simmons M Y, 'Phosphine adsorption and dissociation on the Si(001) surface: An ab initio survey of structures', Physical Review B, 72 15 pages (2005) [C1] |
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2004
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, 'Energetics of finite, clean and hydrogenated silicon nanotubes', SURFACE SCIENCE, 562 257-268 (2004) [C1] |
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2004
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Atomic and electronic structure of the K/Si(111)/3×/3R30°-B chemisorption system', Physical Review B, 70 235325-1 to 235325-10 (2004) [C1] |
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2004
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Atomic and electronic structure of the Si(001)2 x 1-K surface', SURFACE SCIENCE, 561 215-226 (2004) [C1] |
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2004
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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2004
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Wilson Hf, Warschkow O, Marks Na, Schofield Steven Richard, Curson Nj, Smith Phillip Vincent, Radny Marian Wojciech, McKenzie Dr, Simmons My, 'Phosphine dissociation on the Si(001) surface', PHYSICAL REVIEW LETTERS, 93 Art.No. 226102 (2004) [C1] |
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2003
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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2003
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Ponomarenko Olena, Radny Marian Wojciech, Smith Phillip Vincent, Seifert G, 'Properties of boron carbide nanotubes: Density-functional-based tight-binding calculations', Physical Review B: Condensed Matter and Materials Physics, 67 125401-1-5 (2003) [C1] |
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2003
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Que Jian-Zhong, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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2003
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Boron Segregation on the Si(111)sqrt{3} x sqrt{3} R30 degrees surface', Surface Review and Letters, 10 201-205 (2003) [C1] |
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2002
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Shi Hongqing, Radny Marian Wojciech, Smith Phillip Vincent, 'Electronic Structure of the Si(111) sqrt3 X sqrt 3 R30-B surface', Physical Review, 66 1-8 (2002) [C1] |
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2001
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Wang S, Radny Marian Wojciech, Smith Phillip Vincent, 'First-principles electronic structure studies for the cluster modeled Si/Si(111) chemisorption system', Journal of Chemical Physics, 114 436-444 (2001) [C1] |
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2000
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Que Jian-Zhong, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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2000
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Que Jian-Zhong, Radny Marian Wojciech, Smith Phillip Vincent, Dyson A J, '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] |
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2000
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Schofield Steven Richard, Radny Marian Wojciech, Smith Phillip Vincent, 'Energetics of single- and double-layer steps on the Si(001) 2 x 1 surface calculated using the extended Brenner empirical potential', Physical Review B, 62 10 199 - 10 206 (2000) [C1] |
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1999
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Que Jian-Zhong, Radny Marian Wojciech, Smith Phillip Vincent, 'Empirical Potential study of the dissociative chemisorption of Si2H6 on the Si(001)2x1 Surface', Physical Review B, 60 8686-8694 (1999) [C1] |
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1999
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Wang Sanwu, Radny Marian Wojciech, Smith Phillip Vincent, 'Mechanisms for the stability of Al and B adatoms on the Si(111)Root3xRoot3 R30 surface', Physical Review B, 59 1594-1597 (1999) [C1] |
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1998
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Dyson Anthony John, Smith Phillip Vincent, 'Empirical potential study of the chemisorption of C2H2 and CH3 on the beta-SiC(001) surface', Surface Science, 396 24-39 (1998) [C1] |
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1998
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Wang Sanwu, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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1998
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Wang Sanwu, Radny Marian Wojciech, Smith Phillip Vincent, '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] |
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