Computational Design of Photovoltaic Materials

Daniel Davies

doi:10.1039/9781788010122-00176

Computational Design of Photovoltaic Materials

Daniel Davies

Research output: Chapter or section in a book/report/conference proceeding › Book chapter

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.

Original language	English
Title of host publication	Computational Materials Discovery
Publisher	Royal Society of Chemistry
Pages	176-197
DOIs	https://doi.org/10.1039/9781788010122-00176
Publication status	Published - 2019

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10.1039/9781788010122-00176

https://pubs.rsc.org/en/content/chapter/bk9781782629610-00176/978-1-78262-961-0

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title = "Computational Design of Photovoltaic Materials",

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.",

author = "Daniel Davies",

year = "2019",

doi = "10.1039/9781788010122-00176",

language = "English",

pages = "176--197",

booktitle = "Computational Materials Discovery",

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M3 - Book chapter

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BT - Computational Materials Discovery

PB - Royal Society of Chemistry

ER -

Computational Design of Photovoltaic Materials

Abstract

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