Turning the V site in V@2D-BC3N2 complex to high curvature state for efficient CO2 electroreduction to hydrocarbons |
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| Institution: | 1. Institute of Environmental and Energy Catalysis, School of Materials Science and Chemical Engineering, Xi''an Technological University, Xi''an 710021, China;2. School of Sciences, Xi''an Technological University, Xi''an 710021, China;1. Key Laboratory of Carbon Materials of Zhejiang Province, Wenzhou University, Wenzhou 325035, China;2. College of Electrical and Electronic Engineering, Wenzhou University, Wenzhou 325035, China;1. Institute for New Energy Materials & Low Carbon Technologies, School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384, China;2. School of Chemistry, Chemical Engineering and Materials, Jining University, Qufu 273100, China;1. CAS Key Laboratory of Environmental and Applied Microbiology, Environmental Microbiology Key Laboratory of Sichuan Province, Chengdu Institute of Biology, Chinese Academy of Sciences, Chengdu 610041, China;2. College of Resources and Environmental Engineering, Mianyang Normal University, Mianyang 621000, China;3. Department of Materials and Chemical Engineering, Yibin University, Yibin 644000, China;1. Key Laboratory of Agricultural Information Acquisition Technology, Ministry of Agriculture and Rural Affairs, China Agricultural University, Beijing 100083, China;2. State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China;3. Beijing Engineering and Technology Research Center of Food Additives, Beijing Technology & Business University (BTBU), Beijing 100048, China;1. State Key Laboratory for Modification of Chemical Fibers and Polymer Materials and College of Materials Science and Engineering, Donghua University, Shanghai 201620, China;2. National Engineering Research Center for Carbohydrate Synthesis/Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang 330022, China;3. Department of Physics, Chinese University of Hong Kong, New Territories, Hong Kong 999077, China;1. Key Laboratory of Flexible Electronics (KLOFE), Institute of Advanced Materials (IAM), Nanjing Tech University (NanjingTech), Nanjing 211816, China;2. Key Laboratory for Organic Electronics and Information Displays, Institute of Advanced Materials (IAM), Nanjing University of Posts & Telecommunications, Nanjing 210023, China;3. Institute of Flexible Electronics (IFE), Northwestern Polytechnical University (NPU), Xi''an 710072, China |
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| Abstract: | Hydrocarbons are promising products for CO2 electroreduction (CRR) while is impeded by the low selectivity. Turning the curvature of the active site is an effective strategy to change the adsorption properties and further regulate the product distribution and reactivity. Herein, we have designed a novel V single atom catalyst (SAC) based on rolled two-dimensional (2D) BC3N2 substrate with different curvatures. The results have demonstrated that increased curvature can enhance the adsorption strength of CRR intermediates, which follows different mechanisms for systems with low and high curvature. This character eventually leads to the deviation away from the scaling line between EadCO]～EadCOOH] based on transition metals for V@2D-BC3N2 systems. 3-3 system is screened as the optimal candidate for hydrocarbons production due to the enhanced binding ability of adsorbates, which can increase the reactivity for hydrocarbons production and hinder the production of H2 and HCOOH simultaneously. |
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