Listar Investigación por agencia financiadora "Laboratorio Nacional de Computación de Alto Rendimiento (NLHPC). Chile"
Mostrando ítems 1-3 de 3
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Artículo
Full-space potential gradient driven charge migration inside BiFeO₃ Photocathode
(American Chemical Society, 2022-09)Solar–fuel conversion depends on effective collection of photocarriers in the photoelectrode. In practice, however, ...
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Artículo
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics
(American Chemical Society, 2023-08)Hydrogen bonds (HBs) play an important role in the rotational dynamics of organic cations in hybrid organic/inorganic ...
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Artículo
Mixed-anion mixed-cation perovskite (FAPbI₃)₀ꓸ₈₇₅ (MAPbBr₃)₀ꓸ₁₂₅: an ab initio molecular dynamics study
(American Chemical Society, 2022-05)Mixed-anion mixed-cation perovskites with (FAPbI₃)₁-ₓ(MAPbBr₃)ₓ composition have allowed record efficiencies in photovoltaic ...