Issue 6, 2013
From the journal:

Chemical Society Reviews

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

Yuan Ping,‡a   Dario Rocca‡§b  and  Giulia Galli*c  

* Corresponding authors

a Department of Chemistry, University of California, Davis, Davis, USA
E-mail: yping@ucdavis.edu

b Department of Chemistry, University of California, Davis, Davis, USA

c Department of Chemistry and Department of Physics, University of California, Davis, Davis, USA
E-mail: gagalli@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.

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

  • This article is part of the themed collection: Solar fuels
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Article information

DOI
https://doi.org/10.1039/C3CS00007A
Article type
Review Article
Submitted
10 Jan 2013
First published
21 Feb 2013

Chem. Soc. Rev., 2013,42, 2437-2469

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

Y. Ping, D. Rocca and G. Galli, Chem. Soc. Rev., 2013, 42, 2437 DOI: 10.1039/C3CS00007A

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