Modeling and Simulations in Photoelectrochemical Water Oxidation: From Single Level to Multiscale Modeling

This review summarizes recent developments, challenges, and strategies in the field of modeling and simulations of photoelectrochemical (PEC) water oxidation. We focus on water splitting by metal‐oxide semiconductors and discuss topics such as theoretical calculations of light absorption, band gap/b...

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Veröffentlicht in:	ChemSusChem 2016-06, Vol.9 (11), p.1223-1242
Hauptverfasser:	Zhang, Xueqing, Bieberle-Hütter, Anja
Format:	Artikel
Sprache:	eng
Schlagworte:	Band theory Computer simulation Electric Power Supplies Electron Transport energy conversion Hydrogen-Ion Concentration Mathematical models Metal oxide semiconductors modeling & simulations Modelling Models, Chemical Oxidation oxygen evolution reaction Photochemical Processes photoelectrochemistry Semiconductors Strategy Water - chemistry water splitting
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