Understanding the effect of transition metals and vacancy boron nitride catalysts on activity and selectivity for CO2 reduction reaction to valuable products: A DFT-D3 study

• Main Authors: Mudchimo, Tanabat, Takahashi, Kaito, Mano, Poobodin, Lee, Vannajan Sanghiran, Rungrotmongkol, Thanyada, Namuangruk, Supawadee
• Format: Article
• Published: Elsevier Sci Ltd 2022
• Subjects: TA Engineering (General). Civil engineering (General); TP Chemical technology
• Online Access: http://eprints.um.edu.my/42991/
• Institution: Universiti Malaya

Single-atom catalysts have recently emerged as a promising approach for catalyzing the electrochemical CO2 reduction reaction (CRR). Transition metal (TM) atom doping to 2-dimensional layer material has been studied for CRR, but compared to studies on TM doped single vacancy (TM-SV) sites, those on...