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C

C. W. M. Castleton

Nottingham Trent University

H指数:18

被引数:1,499

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STM Images of Anionic Defects at CeO2(111)-A Theoretical Perspective

FRONTIERS IN CHEMISTRY

IF4.2

2019-06-0613

OAAI

Benchmarking Density Functional Theory Functionals for Polarons in Oxides: Properties of CeO2

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2019-01-2334

OAAI

Several different charge transfer and Ce3+ localization scenarios for Rh-CeO2(111)

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2013-11-0827

OAAI

Hydrogen on III-V (110) surfaces: Charge accumulation and STM signatures

PHYSICAL REVIEW B

IF3.7

2013-07-2513

OAAI

Many competing ceria (110) oxygen vacancy structures: From small to large supercells

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-07-2449

OAAI

B3LYP calculations of cerium oxides

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-02-0572

OAAI

Breakdown of cation vacancies into anion vacancy-antisite complexes on III-V semiconductor surfaces

PHYSICAL REVIEW B

IF3.7

2008-10-223

OAAI

Diffusion mechanism of Zn in InP and GaP from first principles

PHYSICAL REVIEW B

IF3.7

2008-03-0421

OAAI

Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria

调节LDA U用于二氧化铈中氧空位的电子定位和结构

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2007-12-26358

OA

Point defects on the (110) surfaces of InP, InAs, and InSb:: A comparison with bulk

PHYSICAL REVIEW B

IF3.7

2006-08-2954

PREAI

Resonant soft x-ray scattering investigation of orbital and magnetic ordering in La0.5Sr1.5MnO4 (vol 71, art no 245102, 2005)

PHYSICAL REVIEW B

IF3.7

2006-07-190

OAAI

Managing the supercell approximation for charged defects in semiconductors:: Finite-size scaling, charge correction factors, the band-gap problem, and the ab initio dielectric constant -: art. no. 035215

PHYSICAL REVIEW B

IF3.7

2006-01-25189

OAAI

Relative concentration and structure of native defects in GaP -: art. no. 195213

PHYSICAL REVIEW B

IF3.7

2005-11-3031

OAAI

Resonant soft x-ray scattering investigation of orbital and magnetic ordering in La0.5Sr1.5MnO4 -: art. no. 245102

PHYSICAL REVIEW B

IF3.7

2005-06-0360

OAAI

Finite-size scaling as a cure for supercell approximation errors in calculations of neutral native defects in InP

PHYSICAL REVIEW B

IF3.7

2004-11-0872

OAAI

Structure of the [ZnIn-VP] defect complex in Zn-doped InP -: art. no. 085203

PHYSICAL REVIEW B

IF3.7

2003-08-0811

OAAI

Screening and the quantitative π-model description of the optical spectra and polarizations of phenyl based oligomers

苯基低聚物的光谱和偏振的筛选和定量 π 模型描述

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2002-08-2227

OA

Orbital ordering in the manganites:: Resonant x-ray scattering predictions at the manganese LII and LIII edges

PHYSICAL REVIEW B

IF3.7

2000-07-0171

OAAI

Optimal parameterisation of the Pariser-Parr-Pople model for benzene, bi-phenyl and trans-stilbene.

SYNTHETIC METALS

IF4.6

1999-05-011

PREAI