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1 |
Material Type: Artigo
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Doping Rules and Doping Prototypes in A2BO4 Spinel OxidesPaudel, Tula R. ; Zakutayev, Andriy ; Lany, Stephan ; d'Avezac, Mayeul ; Zunger, AlexAdvanced functional materials, 2011-12, Vol.21 (23), p.4493-4501 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
2 |
Material Type: Artigo
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Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductorsd'Avezac, Mayeul ; Luo, Jun-Wei ; Chanier, Thomas ; Zunger, AlexPhysical review letters, 2012-01, Vol.108 (2), p.027401-027401, Article 027401 [Periódico revisado por pares]United StatesTexto completo disponível |
3 |
Material Type: Artigo
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MUSE: An open-source agent-based integrated assessment modelling frameworkGiarola, Sara ; Sachs, Julia ; d’Avezac, Mayeul ; Kell, Alexander ; Hawkes, AdamEnergy strategy reviews, 2022-11, Vol.44, p.100964, Article 100964 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
4 |
Material Type: Artigo
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Simple point-ion electrostatic model explains the cation distribution in spinel oxidesStevanović, Vladan ; d'Avezac, Mayeul ; Zunger, AlexPhysical review letters, 2010-08, Vol.105 (7), p.075501-075501, Article 075501 [Periódico revisado por pares]United StatesTexto completo disponível |
5 |
Material Type: Artigo
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Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell NanowiresZhang, Lijun ; d’Avezac, Mayeul ; Luo, Jun-Wei ; Zunger, AlexNano letters, 2012-02, Vol.12 (2), p.984-991 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
6 |
Material Type: Artigo
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Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactionsNielsen, Jens ; d'Avezac, Mayeul ; Hetherington, James ; Stamatakis, MichailThe Journal of chemical physics, 2013-12, Vol.139 (22), p.224706-224706 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
7 |
Material Type: Artigo
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Li-Doped Cr2MnO4: A New p-Type Transparent Conducting Oxide by Computational Materials DesignPeng, Haowei ; Zakutayev, Andriy ; Lany, Stephan ; Paudel, Tula R. ; d'Avezac, Mayeul ; Ndione, Paul F. ; Perkins, John D. ; Ginley, David S. ; Nagaraja, Arpun R. ; Perry, Nicola H. ; Mason, Thomas O. ; Zunger, AlexAdvanced functional materials, 2013-11, Vol.23 (42), p.5267-5276 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
8 |
Material Type: Artigo
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Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio StudyParkes, Michael A ; Refson, Keith ; d’Avezac, Mayeul ; Offer, Gregory J ; Brandon, Nigel P ; Harrison, Nicholas MThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-06, Vol.119 (24), p.6412-6420 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
9 |
Material Type: Artigo
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Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnSVidal, Julien ; Lany, Stephan ; d'Avezac, Mayeul ; Zunger, Alex ; Zakutayev, Andriy ; Francis, Jason ; Tate, JanetApplied physics letters, 2012-01, Vol.100 (3), p.032104-032104-4 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
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Density functional theory description of hole-trapping in SiO2 : A self-interaction-corrected approachD'AVEZAC, Mayeul ; CALANDRA, Matteo ; MAURI, FrancescoPhysical review. B, Condensed matter and materials physics, 2005-05, Vol.71 (20), p.205210.1-205210.5 [Periódico revisado por pares]Ridge, NY: American Physical SocietyTexto completo disponível |