Computational Design of Photovoltaic Materials

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Design principles are outlined for developing new materials that enable sustainable solar energy conversion through light-to-electricity conversion in photovoltaic devices. Important physical descriptors that are accessible from first-principles simulations include optical absorption, electrical conductivity, work-functions, thermodynamic stability, and defect tolerance.
LanguageEnglish
Title of host publicationComputational Materials Discovery
PublisherRSC
Pages176-197
StatusPublished - 2019

Cite this

Davies, D. (2019). Computational Design of Photovoltaic Materials. In Computational Materials Discovery (pp. 176-197). RSC.

Computational Design of Photovoltaic Materials. / Davies, Daniel.

Computational Materials Discovery. RSC, 2019. p. 176-197.

Research output: Chapter in Book/Report/Conference proceedingChapter

Davies, D 2019, Computational Design of Photovoltaic Materials. in Computational Materials Discovery. RSC, pp. 176-197.
Davies D. Computational Design of Photovoltaic Materials. In Computational Materials Discovery. RSC. 2019. p. 176-197
Davies, Daniel. / Computational Design of Photovoltaic Materials. Computational Materials Discovery. RSC, 2019. pp. 176-197
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