High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications

Chemistry of Materials

Volumn 28, Issue 16, 2016, Pages 5621-5634

  Emery, Antoine A ^a   Saal, James E ^a,b   Kirklin, Scott ^a   Hegde, Vinay I ^a   Wolverton, Chris ^a  

^a Northwestern University   (United States)

^b QuesTek Innovations LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; GREENHOUSE EFFECT; OXYGEN VACANCIES; PEROVSKITE; THROUGHPUT;

FORMATION ENERGIES; HIGH THROUGHPUT; OXIDATION STATE; OXYGEN VACANCY FORMATION ENERGIES; SCREENING STRATEGY; STRUCTURAL MAPS; THERMO-CHEMICAL WATER SPLITTING; UNSTABLE COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 84983627501     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.6b01182     Document Type: Article

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