Computational Design of Photovoltaic Materials

Daniel Davies

Research output: Chapter or section in a book/report/conference proceedingChapter or section


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 languageEnglish
Title of host publicationComputational Materials Discovery
PublisherRoyal Society of Chemistry
Publication statusPublished - 2019


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