Issue 40, 2020

Atomic structures of high Miller index surfaces of NiO

Abstract

Recently metal–oxide catalysts have been actively studied, and the catalytic performance strongly depends on the detailed atomic structure at the surface. In addition, the steps or defects on the surface are believed to be particularly important in providing catalytic active sites for catalysis. Here, we report an experimental and theoretical analysis of three kinds of surfaces of single crystal NiO combining aberration corrected TEM and first-principles calculations. Atomic structures of two high Miller index surfaces have been revealed, i.e., a bulk-truncated (112) surface with nickel vacancies in the outermost layer and an oxygen-terminated (113) surface. The analysis of surface structures will help to explain the catalytic mechanisms of NiO catalysts.

Graphical abstract: Atomic structures of high Miller index surfaces of NiO

Supplementary files

Article information

Article type
Paper
Submitted
25 Aug 2020
Accepted
14 Sep 2020
First published
16 Sep 2020

J. Mater. Chem. C, 2020,8, 14164-14171

Atomic structures of high Miller index surfaces of NiO

W. Xing and R. Yu, J. Mater. Chem. C, 2020, 8, 14164 DOI: 10.1039/D0TC04043F

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