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Chem Soc Rev. 2013 Mar 21;42(6):2437-69. doi: 10.1039/c3cs00007a. Epub 2013 Feb 21.

Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory.

Author information

1
Department of Chemistry, University of California, Davis, Davis, 95616, USA. yping@ucdavis.edu

Abstract

We describe state of the art methods for the calculation of electronic excitations in solids and molecules, based on many body perturbation theory, and we discuss some applications of these methods to the study of band edges and absorption processes in representative materials used as photoelectrodes for water splitting.

PMID:
23426559
DOI:
10.1039/c3cs00007a

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