Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst

Rongyan Wang; Zhenbin Wang; Lingxia Zhang; Qiang Wang; Zhengliang Zhao; Weimin Huang; Jianlin Shi

doi:10.1021/acsenergylett.2c00951

journal article·2022-06-10

Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst

Rongyan Wang, Zhenbin Wang, Lingxia Zhang, Qiang Wang, Zhengliang Zhao, Weimin Huang, Jianlin Shi

ACS Energy Letters· Volume 7· Issue 6

Publisher page

Source abstract

Abstract

Developing photocatalysts is essential for converting solar energy into chemical fuels. Herein, we report the discovery and synthesis of praseodymium oxyhide (PrOBr), a two-dimensional (2D) rare-earth material, as an efficient photocatalyst. By performing high-throughput screening over popular computational 2D materials databases, we have identified 2D PrOBr as a promising photocatalyst with potentially good stability and activity. 2D PrOBr was successfully synthesized via the exfoliation of bulk PrOBr powders. The intrinsic photocatalytic activities of this 2D material were further validated. The measured hydrogen evolution rate of water splitting and the methane production rate of carbon dioxide reduction are 60.28 μmol·h–1·g–1 and 0.862 μmol·h–1·g–1, which are about 3–6 times and 7 times higher than that of the typical 2D photocatalysts (e.g., 2D C3N4 and BiOCl), respectively.

Source: openalex_inverted_index · Quality: baseline

Research context

Nanomaterials Catalysis & surfaces

OpenAlex topics: Advanced Photocatalysis Techniques · MXene and MAX Phase Materials · 2D Materials and Applications

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

Affiliations

State Key Lab of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050, People’s Republic of China

Department of Physics, Technical University of Denmark, 2800 Kongens Lyngby, Denmark

Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, 19A Yuquan Road, Beijing 100049, People’s Republic of China

Engineering Research Center of Nano-Geomaterials of Ministry of Education, Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074, People’s Republic of China

Funding

China Postdoctoral Science Foundation · Science and Technology Commission of Shanghai Municipality · National Natural Science Foundation of China

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