Highly efficient photocatalytic reduction of nitrogen into ammonia by single Ru atom catalyst supported by BeO monolayer  

作　　者：Saifei Yuan Beixi Xu Shujuan Li Wenbiao Zhu Shulai Lei Wenyue Guo Hao Ren 

机构地区：[1]School of Materials Science and Engineering,China University of Petroleum(East China),Qingdao 266580,China [2]Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices,Hubei University of Arts and Science,Xiangyang 441053,China [3]Institute of Mathematics,Free University of Berlin,Arnimallee 6,D-14195 Berlin,Germany

出　　处：《Chinese Chemical Letters》2022年第1期399-403,共5页中国化学快报（英文版）

基　　金：the financial support from the National Natural Science Foundation of China(NSFC,Nos.21773309,21776315);the Fundamental Research Funds for the Central Universities(Nos.19CX05001A,20CX05010A);Hubei University of Arts and Science(Nos.2020kypytd002,2020kypytd003);Xiangyang Science and Technology Research and Development(No.2020YL09)。

摘　　要：Ammonia(NH_(3))is one of the most important building blocks of the chemical industry and a promising sustainable energy carrier.Conventional production of NH_(3)via the Haber-Bosch process requires high temperature and high pressure,which is energy demanding and suffers safety issues.Photocatalytic nitrogen reduction reaction(NRR)is a green and sustainable route for NH_(3) production,and has been expected to be an alternative for NH_(3)production under mild conditions.However,solar-driven N_(2)activated has appeared as the bottleneck for photocatalytic NRR.In this work,we propose that single Ru atom supported by BeO monolayer is a promising photocatalytic single atom catalyst(SAC)for efficient N_(2)activation with visible illumination.The high efficiency originates from the enhanced absorption in the visible range,as well as the back-donation mechanism when N_(2)were adsorbed on the SAC.Our results show that N_(2)can be efficiently activated by the Ru/BeO SAC and be reduced to NH_(3) with extremely low limiting potential of-0.41 V.The NRR process also exhibits dominate selectivity respect to hydrogen evolution.

关 键 词：Nitrogen reduction reaction Single atom catalyst MONOLAYER Ab initio Optical absorption spectra 

分 类 号：TQ113.26[化学工程—无机化工] O643.36[理学—物理化学] O644.1[理学—化学]