Theoretical study of transition metal-doped β<sub>12</sub> borophene as a new single-atom catalyst for carbon dioxide electroreduction
Hongjie Huang, Ming‐Yao Chen, Rongxin Zhang, Yuxuan Ding, Hong Huang, Zhangfeng Shen, Lingchang Jiang, Zhigang Ge, Hongtao Jiang, Minhong Xu, Yangang Wang, Yongyong Cao
Abstract
Among the 19 catalysts, Sc@β 12 -BM and Y@β 12 -BM were screened and easily reduced to C 1 products (CH 4 and CH 3 OH) and C 2 products (CH 3 CH 2 OH).
Topics & Concepts
BoropheneTransition metalCatalysisCarbon dioxideDopingMaterials scienceAtom (system on chip)Carbon fibersNanotechnologyMetalInorganic chemistryChemistryMetallurgyOptoelectronicsOrganic chemistryComposite materialComputer scienceComposite numberGrapheneEmbedded systemCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen ReductionCatalysis and Oxidation Reactions