• 文献标题:   Electrocatalytic N-2-to-NH3 conversion using oxygen-doped graphene: experimental and theoretical studies
  • 文献类型:   Article
  • 作  者:   WANG T, XIA L, YANG JJ, WANG HB, FANG WH, CHEN HY, TANG DP, ASIRI AM, LUO YL, CUI GL, SUN XP
  • 作者关键词:  
  • 出版物名称:   CHEMICAL COMMUNICATIONS
  • ISSN:   1359-7345 EI 1364-548X
  • 通讯作者地址:   China West Normal Univ
  • 被引频次:   31
  • DOI:   10.1039/c9cc01999e
  • 出版年:   2019

▎ 摘  要

Oxygen-doped graphene (O-G) derived from sodium gluconate is identified as a promising candidate to effectively catalyze ambient electrohydrogenation of N-2 to NH3. Electrochemical tests on O-G in 0.1 M HCl suggest a large NH3 yield of 21.3 mu g h(-1) mg(cat.)(-1) and a high faradaic efficiency of 12.6% at -0.55 and -0.45 V vs. reversible hydrogen electrode, respectively, with strong electrochemical and structural stability in 0.1 M HCl. Density functional theory calculations reveal the NRR catalytic mechanism and suggest that both the C = O and O-C = O groups contribute more greatly to the NRR compared with the C-O group.