RT Journal Article A1 Ya Zhang,Huitong Du,Yongjun Ma,Lei Ji,Haoran Guo,Ziqi Tian,Hongyu Chen,Hong Huang,Guanwei Cui,Abdullah M. Asiri,Fengli Qu,Liang Chen,Xuping Sun; AD University of Electronic Science and Technology of China, 610054, 中国 ; Qufu Normal University, 273165, 中国 ; Southwest University of Science and Technology, 621010, 中国 ; University of Electronic Science and Technology of China, 610054, 中国 ; Chinese Academy of Sciences, 315201, 中国 ; Chinese Academy of Sciences, 315201, 中国 ; University of Electronic Science and Technology of China, 610054, 中国 ; University of Electronic Science and Technology of China, 610054, 中国 ; Chemical Engineering and Materials Science, Shandong Normal University, 250014, 中国 ; King Abdulaziz University, P.O. Box 80203, 21589, 沙特阿拉伯 ; Southwest University of Science and Technology, 621010, 中国 ; Chinese Academy of Sciences, 315201, 中国 ; University of Electronic Science and Technology of China, 610054, 中国 T1 Hexagonal boron nitride nanosheet for effective ambient N2 fixation to NH3 YR 2019 IS 4 vo 12 OP 919-OP 924 K1 density functional theory;boron nitride nanosheet;N2 reduction reaction;NH3 electrosynthesis;ambient conditions AB Industrial production of NH3 from N2 and H2 significantly relies on Haber-Bosch process, which suffers from high energy consume and CO2 emission. As a sustainable and environmentally-benign alternative process, electrochemical artificial N2 fixation at ambient conditions, however, is highly required efficient electrocatalysts. In this study, we demonstrate that hexagonal boron nitride nanosheet (h-BNNS) is able to electrochemically catalyze N2 to NH3. In acidic solution, h-BNNS catalyst attains a high NH3 formation rate of 22.4 μg·h-1·mg-1cat. and a high Faradic efficiency of 4.7% at -0.75 V vs. reversible hydrogen electrode, with excellent stability and durability. Density functional theory calculations reveal that unsaturated boron at the edge site can activate inert N2 molecule and significantly reduce the energy barrier for NH3 formation. SN 1998-0124 LA EN