Water interaction with B-site (B = Al, Zr, Nb, and W) doped SrFeO3−δ-based perovskite surfaces for thermochemical water splitting applications

Author:

Chen Sha1ORCID,Cheng Hongwei1ORCID,Liu Yanbo1,Xiong Xiaolu1ORCID,Sun Qiangchao1,Xu Qian1,Lu Xionggang12,Li Shenggang3ORCID

Affiliation:

1. State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering, Shanghai University, 99 Shangda Road, Shanghai 200444, P. R. China

2. School of Materials Science, Shanghai Dianji University, 300 Shuihua Road, Shanghai 200240, P. R. China

3. CAS Key Laboratory of Low-Carbon Conversion Science and Engineering, Shanghai Advanced Research Institute, Chinese Academy of Sciences, 100 Haike Road, Shanghai 201210, China

Abstract

First principles calculations predicted metal dopants and surface oxygen vacancies in SrFeO3−δ-based perovskites to benefit H2O dissociation and H2 formation.

Funder

National Natural Science Foundation of China

Science and Technology Commission of Shanghai Municipality

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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