Pt single-atom loaded on nonmetallic elements (C, N, P, S) doped ZrO2 in photocatalytic hydrogen evolution: First principles

It is of great significance to regulate the coordination environment of ZrO2 to enhance its photocatalytic hydrogen evolution activity. In this paper, non-metallic elements (A = C, N, P, S) doped ZrO2 photocatalysts are designed based on first-principles, and further loaded with single-atom Pt. The...

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Bibliographic Details

Published in:	Materials & Design
Main Authors:	Shizhi Dong, Yanshuai Li, Xing Zhang, Hongyu Hu, Bing Yan, Jie Ren, Liang Wan, Hewei Zhao, Fanghong Sun
Format:	Article
Language:	English
Published:	Elsevier 2023-07-01
Subjects:	First principles Single-atom catalyst Coordination environment Photocatalysis Hydrogen evolution reaction
Online Access:	http://www.sciencedirect.com/science/article/pii/S0264127523004835