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au.\*:("BARNARD, A. S")

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Effects of particle morphology and surface hydrogenation on the phase stability of TiO2BARNARD, A. S; ZAPOL, P.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 235403.1-235403.13, issn 1098-0121Article

Predicting the distribution and stability of photoactive defect centers in nanodiamond biomarkersBARNARD, A. S; VLASOV, I. I; RALCHENKO, V. G et al.Journal of material chemistry. 2009, Vol 19, Num 3, pp 360-365, issn 0959-9428, 6 p.Article

Simulation and bonding of dopants in nanocrystalline diamondBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Journal of nanoscience and nanotechnology (Print). 2005, Vol 5, Num 9, pp 1395-1407, issn 1533-4880, 13 p.Article

Ab initio modelling of the stability of nanocrystalline diamond morphologiesBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Philosophical magazine letters. 2003, Vol 83, Num 1, pp 39-45, issn 0950-0839, 7 p.Article

Transformation of graphene into graphane in the absence of hydrogenBARNARD, A. S; SNOOK, I. K.Carbon (New York, NY). 2010, Vol 48, Num 4, pp 981-986, issn 0008-6223, 6 p.Article

Can we predict the location of impurities in diamond nanoparticles?BARNARD, A. S; STEMBERG, M.Diamond and related materials. 2007, Vol 16, Num 12, pp 2078-2082, issn 0925-9635, 5 p.Conference Paper

Anatase and rutile surfaces with adsorbates representative of acidic and basic conditionsBARNARD, A. S; ZAPOL, P; CURTISS, L. A et al.Surface science. 2005, Vol 582, Num 1-3, pp 173-188, issn 0039-6028, 16 p.Article

Modeling the preferred shape, orientation and aspect ratio of gold nanorodsBARNARD, A. S; CURTISS, L. A.Journal of material chemistry. 2007, Vol 17, Num 31, pp 3315-3323, issn 0959-9428, 9 p.Article

Theory and modeling of nanocarbon phase stabilityBARNARD, A. S.Diamond and related materials. 2006, Vol 15, Num 2-3, pp 285-291, issn 0925-9635, 7 p.Conference Paper

Ab initio modeling of diamond nanowire structuresBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Nano letters (Print). 2003, Vol 3, Num 10, pp 1323-1328, issn 1530-6984, 6 p.Article

Comparative Hartree-Fock and density-functional theory study of cubic and hexagonal diamondBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Philosophical magazine. B. Physics of condensed matter. Statistical mechanics, electronic, optical and magnetic properties. 2002, Vol 82, Num 17, pp 1767-1776, issn 1364-2812, 10 p.Article

Map of the Structural and Optical Properties of Gold Nanoparticles at Thermal EquilibriumGONZALEZ, A. L; NOGUEZ, C; BARNARD, A. S et al.Journal of physical chemistry. C. 2012, Vol 116, Num 26, pp 14170-14175, issn 1932-7447, 6 p.Article

Prediction of TiO2 nanoparticle phase and shape transitions controlled by surface chemistryBARNARD, A. S; CURTISS, L. A.Nano letters (Print). 2005, Vol 5, Num 7, pp 1261-1266, issn 1530-6984, 6 p.Article

From nanodiamond to diamond nanowires: structural properties affected by dimensionBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Philosophical magazine (2003. Print). 2004, Vol 84, Num 9, pp 899-907, issn 1478-6435, 9 p.Article

Surface structure of cubic diamond nanowiresBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Surface science. 2003, Vol 538, Num 3, pp 204-210, issn 0039-6028, 7 p.Article

Modelling nanoscale FeS2 formation in sulfur rich conditionsBARNARD, A. S; RUSSO, S. P.Journal of material chemistry. 2009, Vol 19, Num 21, pp 3389-3394, issn 0959-9428, 6 p.Article

Characterization of cathodic arc deposited titanium aluminium nitride films prepared using plasma immersion ion implantationLIM, S. H. N; MCCULLOCH, D. G; BILEK, M. M. M et al.Journal of physics. Condensed matter (Print). 2005, Vol 17, Num 17, pp 2791-2800, issn 0953-8984, 10 p.Article

Ab initio modelling of band states in doped diamondBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Philosophical magazine (2003. Print). 2003, Vol 83, Num 9, pp 1163-1174, issn 1478-6435, 12 p.Article

Ab initio modelling of boron and nitrogen in diamond nanowiresBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Philosophical magazine (2003. Print). 2003, Vol 83, Num 19, pp 2301-2309, issn 1478-6435, 9 p.Article

Structural relaxation and relative stability of nanodiamond morphologiesBARNARD, A. S; RUSSO, S. P; SNOOK, I. K et al.Diamond and related materials. 2003, Vol 12, Num 10-11, pp 1867-1872, issn 0925-9635, 6 p.Article

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