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Chapter 6

Computational Design of Photovoltaic Materials

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.

Print publication date: 02 Nov 2018
Copyright year: 2019
Print ISBN: 978-1-78262-961-0
PDF eISBN: 978-1-78801-012-2
ePub eISBN: 978-1-78801-562-2