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Published on: June 12, 2019
Si@SbN: a promising solar photocatalyst for the reduction of NO
Lei Yang1, Jiake Fan1, Weihua Zhu1
1Institute for Computation in Molecular and Materials Science, School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China. zhuwh@njust.edu.cn.
Abstract:
Si@SbN, a highly promising visible-light photocatalyst for the NO reduction reaction (NORR), was studied by performing first-principles calculations. A novel design concept of the Si electron configuration applied to metal-free active sites has been explored. This Si-altered SbN enhances chemical NORR activity without taking into account complicated reaction mechanisms, facilitating the development of catalysts.

