Modelling materials for solar fuel synthesis by artificial photosynthesis; Predicting the optical, electronic and redox properties of photocatalysts

Journal of Physics Condensed Matter

Volumn 28, Issue 7, 2016, Pages

  Guiglion, Pierre ^a   Berardo, Enrico ^a,b   Butchosa, Cristina ^a   Wobbe, Milena C C ^a   Zwijnenburg, Martijn A ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

carbon dioxide reduction; density functional theory; electrochemistry; photocatalysis; solar fuels; time dependent density functional theory; water splitting

Indexed keywords

CARBON DIOXIDE; COMPUTATION THEORY; ELECTROCHEMISTRY; FUELS; METAL DRAWING; PHOTOCATALYSIS; POLLUTION CONTROL; REDUCTION;

ARTIFICIAL PHOTOSYNTHESIS; CARBON DIOXIDE REDUCTION; COMPUTATIONAL CHALLENGES; COMPUTATIONAL MODELLING; PHOTOCATALYTIC WATER SPLITTING; SOLAR FUELS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WATER SPLITTING;

DENSITY FUNCTIONAL THEORY;

EID: 84955505275     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/28/7/074001     Document Type: Short Survey

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