文献类型：期刊文献

英文题名：Boosting electrochemical conversion of CO₂ to ethanol through the confinement of pyridinic N-B layer on copper nanoparticles

作者：Zhao, Yuying[1,2,3] Yuan, Qixin[2] Xu, Ruting[1] Zhang, Chenhao[4,5] Sun, Kang[1] Wang, Ao[1] Zhang, Anqi[6] Wang, Ziyun[3] Jiang, Jianchun[1,2] Fan, Mengmeng[1,2]

第一作者：Zhao, Yuying

通信作者：Jiang, JC[1];Fan, MM[1];Wang, ZY[2]

机构：[1]Chinese Acad Forestry, Jiangsu Coinnovat Ctr Efficient Proc & Utilizat F, Inst Chem Ind Forest Prod, Key Lab Biomass Energy & Mat, Nanjing 210042, Jiangsu, Peoples R China;[2]Nanjing Forestry Univ, Coll Chem Engn, Jiangsu Coinnovat Ctr Efficient Proc & Utilizat F, Int Innovat Ctr Forest Chem & Mat, Nanjing 210037, Peoples R China;[3]Univ Auckland, Sch Chem Sci, Auckland 1010, New Zealand;[4]Shanghai Normal Univ, Key Lab Resource Chem, Shanghai Key Lab Rare Earth Funct Mat, Shanghai 200234, Peoples R China;[5]Shanghai Normal Univ, Key Lab Resource Chem, Educ Minist, Shanghai 200234, Peoples R China;[6]Tianjin Univ, Sch Chem Engn, Tianjin 30072, Peoples R China

年份：2024

卷号：355

外文期刊名：APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY

收录：;EI(收录号：20242016082518);Scopus(收录号：2-s2.0-85193020566);WOS:【SCI-EXPANDED(收录号:WOS:001371281800001)】；

基金：This work was supported by Jiangsu Key Lab. of Biomass Energy and Material (JSBEM-S-202315), National Natural Science Foundation of China (No. 32371810), China Postdoctoral Science Foundation (2023M731702), the Foundation Research Project of Jiangsu Province (BK20221338), Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, International Innovation Center for Forest Chemicals and Materials, Nanjing Forestry University, merit-based funding for Nanjing innovation and technology projects, and the Foundation of Jiangsu Key Lab of Biomass Energy and Material (JSBEM-S-202101). The computational study is supported by the Marsden Fund Council from Government funding (21-UOA-237) and Catalyst: Seeding General Grant (22-UOA-031-CGS), managed by Royal Society Te Aparangi. All DFT calculations were carried out on the New Zealand eScience Infrastructure (NeSI) high-performance computing facilities.

语种：英文

外文关键词：Pyridinic N-B; Cu nanoparticles; Carbon materials; Synergistic confinement CO2 electroreduction

摘要：Developing efficient electrocatalysts for CO2 reduction has gained significant attention in the field of sustainable energy, especially the Cu-based catalysts for CO2 conversion to valuable alcohols. In this study, we developed Cu nanoparticles supported on pyridinic N-B doped graphene nanoribbons/amorphous carbon (Cu/BNC-1) as an electrocatalyst for CO2 reduction, exhibiting substantially improved ethanol (EtOH) conversion rate in terms of activity, selectivity, and stability. The Cu/BNC-1 achieved a remarkable 58.64 % Faradaic efficiency (FE) for producing EtOH at -1.0 V vs. RHE with a current density of 20.4 mA cm(-2) in 0.5 M KHCO3 electrolyte. In-situ Raman, FT-IR, and density functional theory (DFT) calculations demonstrated that the high C2+ product selectivity of Cu/BNC-1 attributed to the pyridinic N-B modulation, lowering the CO dimerization barrier. Moreover, the synergistic confinement effect of Cu and BNC can stabilize the C-O bond of the *HOCCH intermediate, thereby increasing the yield of EtOH.