@inbook{54fe4bcb3108418a841278a47a00510e,
title = "Chapter 3. Computational Screening of Light-absorbing Materials for Photoelectrochemical Water Splitting",
abstract = "Efficient conversion of solar energy into electricity or fuels requires the identification of new semiconductors with optimal optical and electronic properties. We discuss the current and future role that computational screening is expected to play in this challenge. We discuss the identification of new computable descriptors characterising optimal materials performance, and we outline different search strategies in the materials screening. Finally, we describe some of the screening results obtained for perovskites, 2D materials, and for materials extracted from crystallographic databases.",
author = "Castelli, {Ivano E.} and Korina Kuhar and Mohnish Pandey and Jacobsen, {Karsten W.}",
year = "2018",
doi = "10.1039/9781782629863-00062",
language = "English",
isbn = "978-1-78262-925-2",
series = "Advances in Photoelectrochemical Water Splitting",
publisher = "Royal Society of Chemistry",
pages = "62--99",
editor = "{van de Krol}, Roel and Stephan Lany and {David Tilley}, S",
booktitle = "Advances in Photoelectrochemical Water Splitting",
address = "United Kingdom",
}
