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 | |
| Publication status | Published - 2019 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 7 Affordable and Clean Energy
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