Tuning semiconductor band edge energies for solar photocatalysis via surface ligand passivation

Nano Letters

Volumn 12, Issue 1, 2012, Pages 383-388

  Yang, Shenyuan ^a   Prendergast, David ^a   Neaton, Jeffrey B ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

band edge energy; density functional theory; interface dipole; Ligand semiconductor interface

Indexed keywords

BAND EDGE ENERGY; DENSITY FUNCTIONALS; ELECTRONIC LEVELS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FUNCTIONALIZATIONS; IN-BAND; INDUCED DIPOLES; INTERFACE DIPOLE; INTRINSIC DIPOLE MOMENT; SEMICONDUCTOR PHOTOCATALYST; SOLAR PHOTOCATALYSIS; SOLAR PHOTONS; SURFACE LIGANDS; WATER SPLITTING;

CADMIUM ALLOYS; CADMIUM COMPOUNDS; CALCULATIONS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL PROPERTIES; ELECTRONIC STRUCTURE; LIGANDS; PASSIVATION; PHOTOCATALYSIS; WATER ABSORPTION;

SOLAR ENERGY;

CADMIUM DERIVATIVE; CADMIUM SELENIDE; LIGAND; NANOMATERIAL; SELENIUM DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; LIGHT; PHOTON; RADIATION EXPOSURE;

CADMIUM COMPOUNDS; CATALYSIS; COMPUTER SIMULATION; ENERGY TRANSFER; LIGANDS; LIGHT; MODELS, CHEMICAL; NANOSTRUCTURES; PHOTONS; SELENIUM COMPOUNDS;

EID: 84855815618     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl203669k     Document Type: Article

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