DataVXACS Applied Materials & InterfacesPaper
journal article·2019-04-03

Strain Effect on Oxygen Evolution Reaction Activity of Epitaxial NdNiO3 Thin Films

Le Wang, Kelsey A. Stoerzinger, Lei Chang, Xinmao Yin, Yangyang Li, Chi Sin Tang, Endong Jia, Mark E. Bowden, Zhenzhong Yang, Amr Abdelsamie, Lu You, Rui Guo, Jingsheng Chen, Andrivo Rusydi, Junling Wang, Scott A. Chambers, Yingge Du

ACS Applied Materials & Interfaces· Volume 11· Issue 13
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Source abstract

Abstract

Epitaxial strain can cause both lattice distortion and oxygen nonstoichiometry, effects that are strongly coupled at heterojunctions of complex nickelate oxides. Here we decouple these structural and chemical effects on the oxygen evolution reaction (OER) by using a set of coherently strained epitaxial NdNiO 3 films. We show that within the regime where oxygen vacancies (V O ) are negligible, compressive strain is favorable for the OER whereas tensile strain is unfavorable; the former induces orbital splitting, resulting in a higher occupancy in the d 3 z 2 − r 2 orbital and weaker Ni–O chemisorption. However, when the tensile strain is sufficiently large to promote V O formation, an increase in the OER is also observed. The partial reduction of Ni 3+ to Ni 2+ due to V O makes the e g occupancy slightly larger than unity, which is thought to account for the increased OER activity. Our work highlights that epitaxial-strain-induced lattice distortion and V O generation can be individually or collectively exploited to tune OER activity, which is important for the predictive synthesis of high-performance electrocatalysts.
Source: openalex_inverted_index · Quality: baseline

Research context

Catalysis & surfaces

OpenAlex topics: Magnetic and transport properties of perovskites and related materials · Electronic and Structural Properties of Oxides · Advanced Memory and Neural Computing

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798, Singapore

School of Chemical, Biological, and Environmental Engineering, Oregon State University, Corvallis, Oregon 97331, United States

Department of Physics, Faculty of Science, National University of Singapore, Singapore 117542, Singapore

Department of Material Science & Engineering, National University of Singapore, Singapore 117575, Singapore

NUS Graduate School for Integrative Sciences and Engineering, National University of Singapore, Singapore 117456, Singapore

The Key Laboratory of Solar Thermal Energy and Photovoltaic System, Institute of Electrical Engineering, Chinese Academy of Science, Beijing 100190, China

University of Chinese Academy of Sciences, Beijing 100190, China

Funding

Ministry of Education - Singapore · Office of Science

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