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

Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

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.

Original language	English
Pages (from-to)	1980-1986
Number of pages	7
Journal	ACS Energy Letters
Volume	7
Issue number	6
DOIs	https://doi.org/10.1021/acsenergylett.2c00951
State	Published - 10 Jun 2022
Externally published	Yes

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10.1021/acsenergylett.2c00951

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title = "Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst",

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.",

author = "Rongyan Wang and Zhenbin Wang and Lingxia Zhang and Qiang Wang and Zhengliang Zhao and Weimin Huang and Jianlin Shi",

note = "Publisher Copyright: {\textcopyright} 2022 American Chemical Society.",

year = "2022",

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doi = "10.1021/acsenergylett.2c00951",

language = "英语",

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TY - JOUR

T1 - Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst

AU - Wang, Rongyan

AU - Wang, Zhenbin

AU - Zhang, Lingxia

AU - Wang, Qiang

AU - Zhao, Zhengliang

AU - Huang, Weimin

AU - Shi, Jianlin

PY - 2022/6/10

Y1 - 2022/6/10

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/85131145235

U2 - 10.1021/acsenergylett.2c00951

DO - 10.1021/acsenergylett.2c00951

M3 - 文章

AN - SCOPUS:85131145235

SN - 2380-8195

VL - 7

SP - 1980

EP - 1986

JO - ACS Energy Letters

JF - ACS Energy Letters

IS - 6

ER -

Computation-Aided Discovery and Synthesis of 2D PrOBr Photocatalyst

Abstract

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