期刊
ACS CATALYSIS
卷 9, 期 5, 页码 4609-4615出版社
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.8b05134
关键词
boron nanosheet; elemental 2D material; N-2 reduction reaction; neutral electrolyte; density functional theory calculations
The Haber-Bosch process for industrial NH3 production suffers from harsh reaction conditions and serious CO2 emission. Electrochemical N-2 reduction offers a carbon-neutral alternative for more energy-saving NH3 synthesis but requires active electrocatalysts for the N-2 reduction reaction (NRR). In this Letter, boron nanosheet (BNS) is proposed as an elemental two-dimensional (2D) material to effectively catalyze the NRR toward NH3 synthesis with excellent selectivity. When tested in 0.1 M Na2SO4, such BNS catalyst attains a high Faradaic efficiency of 4.04% and a large NH3 yield of 13.22 mu g h(-1) mg(cat)(-1) at -0.80 V vs reversible hydrogen electrode, with strong electrochemical durability. Density functional theory calculations suggest that the B atoms of both oxidized and H-deactivated BNS can catalyze the NRR more effectively than clean BNS, and the rate-determining step is the desorption process of the second NH3 gas.
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