Computational screening of perovskite redox materials for solar thermochemical ammonia synthesis from N2 and H2O

[Display omitted] •A solar-driven redox cycle for ammonia synthesis at ambient pressure is proposed.•The thermodynamics of perovskites are screened via density functional theory.•Reactions of oxygen vacancies and lattice nitrogen are energetically correlated.•Redox energetics are sensitive to the tr...

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Bibliographic Details

Published in:	Catalysis today Vol. 286; pp. 124 - 130
Main Authors:	Michalsky, Ronald, Steinfeld, Aldo
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 15-05-2017
Subjects:	Ammonia Concentrated solar energy Density functional theory Perovskite Redox Thermochemical Redox Concentrated solar energy Ammonia Perovskite Density functional theory Thermochemical
Online Access:	Get full text
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