Computational screening of defective BC<sub>3</sub>-supported single-atom catalysts for electrochemical CO<sub>2</sub> reduction
Renyi Li, Caimu Wang, Yaozhong Liu, Chengxiang Suo, Danyang Zhang, Jianyu Zhang, Wei Guo
Abstract
The electrochemical CO 2 reduction reaction (eCO 2 RR) driven by renewable electricity offers a green and sustainable technology for synthesizing chemicals and managing global carbon balance.
Topics & Concepts
ElectrochemistryReduction (mathematics)CatalysisAtom (system on chip)Materials scienceChemistryCombinatorial chemistryPhysical chemistryComputer scienceElectrodeEmbedded systemOrganic chemistryMathematicsGeometryCO2 Reduction Techniques and CatalystsMachine Learning in Materials ScienceCatalytic Processes in Materials Science