文献类型：期刊文献

英文题名：Copper cluster regulated by N, B atoms for enhanced CO₂ electroreduction to formate

作者：Zhao, Yuying[1,2,3,6,7] Hu, Shengchun[1,2,3] Yuan, Qixin[4,5] Wang, Ao[1,2,3] Sun, Kang[1,2,3] Wang, Ziyun[3,7] Fan, Mengmeng[1,2,3,4,5] Jiang, Jianchun[1,2,3,4,5]

第一作者：Zhao, Yuying

通信作者：Wang, ZY[1];Fan, MM[1];Wang, ZY[2];Fan, MM[2];Wang, ZY[3];Fan, MM[3]

机构：[1]Chinese Acad Forestry, Key Lab Biomass Energy & Mat, Nanjing 210042, Jiangsu, Peoples R China;[2]Chinese Acad Forestry, Natl Engn Lab Biomass Chem Utilizat, Nanjing 210042, Peoples R China;[3]Chinese Acad Forestry, Inst Chem Ind Forest Prod, Nanjing 210042, Peoples R China;[4]Nanjing Forestry Univ, Coll Chem Engn, Jiangsu Coinnovat Ctr Efficient Proc & Utilizat Fo, Nanjing 210037, Peoples R China;[5]Nanjing Forestry Univ, Coll Chem Engn, Int Innovat Ctr Forest Chem & Mat, Nanjing 210037, Peoples R China;[6]Qilu Univ Technol, Shandong Acad Sci, Shandong Prov Key Lab Biomass Gasificat Technol, Jinan 250014, Peoples R China;[7]Univ Auckland, Sch Chem Sci, Auckland 1010, New Zealand

年份：2025

卷号：678

起止页码：456-464

外文期刊名：JOURNAL OF COLLOID AND INTERFACE SCIENCE

收录：;EI(收录号：20243717022257);Scopus(收录号：2-s2.0-85203413764);WOS:【SCI-EXPANDED(收录号:WOS:001312343400001)】；

基金：This work was supported by China Postdoctoral Science Foundation (2023M731702) , the Foundation Research Project of Jiangsu Province (BK20221338) , National Natural Science Foundation of China (32371810) , Central Guidance for Local Scientific and Technological Development Funding Projects (YDZX2022085) , 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 innova-tion 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：CO2 reduction; Formate; Porous carbon matrix; N coordination; Cu clusters

摘要：Electrochemical CO2 conversion into formate by intermittent renewable electricity, presents a captivating prospect for both the storage of renewable electrical energy and the utilization of emitted CO2. Typically, Cu-based catalysts in CO2 reduction reactions favor the production of CO and other by-products. However, we have shifted this selectivity by incorporating B, N co-doped carbon (BNC) in the fabrication of Cu clusters. These Cu clusters are regulated with B, N atoms in a porous carbon matrix (Cu/BN-C), and Zn2+ ions were added to achieve Cu clusters with the diameter size of similar to 1.0 nm. The obtained Cu/BN-C possesses a significantly improved catalytic performance in CO2 reduction to formate with a Faradaic efficiency (FE) of up to 70 % and partial current density (j(formate)) surpassing 20.8 mA cm(-2) at -1.0 V vs RHE. The high FE and j(formate) are maintained over a 12-hour. The overall catalytic performance of Cu/BN-C outperforms those of the other investigated catalysts. Based on the density functional theory (DFT) calculation, the exceptional catalytic behavior is attributed to the synergistic effect between Cu clusters and N, B atoms by modulating the electronic structure and enhancing the charge transfer properties, which promoted a preferential adsorption of HCOO* over COOH*, favoring formate formation.