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Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide

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成果类型:
期刊论文
作者:
Huang, Tao;Si, Yuan;Wu, Hong-Yu;Xia, Li-Xin;Lan, Yu;...
通讯作者:
Huang, Wei-Qing;Huang, Gui-Fang
作者机构:
[Si, Yuan; Huang, Wei-Qing; Huang, Gui-Fang; Huang, Tao; Huang, GF; Wu, Hong-Yu] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.
[Xia, Li-Xin] Kashgar Univ, Dept Phys, Kashgar 844006, Peoples R China.
[Lan, Yu] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.
[Hu, Wang-Yu] Hunan Univ, Sch Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China.
通讯机构:
[Huang, WQ; Huang, GF] H
Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.
语种:
英文
关键词:
coordination configuration;electrocatalysis;first principle calculations;hydrogen evolution reaction (HER);phosphorus carbide
期刊:
中国物理B
ISSN:
1674-1056
年:
2021
卷:
30
期:
2
页码:
518-525
基金类别:
Project supported by the National Natural Science Foundation of China (Grant Nos. 51772085 and U1830138);
机构署名:
本校为其他机构
院系归属:
物理与电子工程学院
摘要:
Hydrogen, regarded as a promising energy carrier to alleviate the current energy crisis, can be generated from hydrogen evolution reaction (HER), whereas its efficiency is impeded by the activity of catalysts. Herein, effective strategies, such as strain and interfacial engineering, are imposed to tune the catalysis performance of novel two-dimensional (2D) phosphorus carbide (PC) layers using first-principle calculations. The findings show that P site in pristine monolayer PC (ML-PC) exhibits higher HER performance than C site. Intriguingly, c...

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