Graphdiyne-supported single-cluster electrocatalysts for highly efficient carbon dioxide reduction reaction
Pingji Ge, Xingwu Zhai, Xiaoyue Liu, Yinglun Liu, Yinglun Liu, Xiaodong Yang, Hongxia Yan, Guixian Ge, Jueming Yang, Yunhu Liu, Yunhu Liu
Abstract
The Cr 3 @GDY possesses the best catalytic performance with a remarkably low rate-limiting step of 0.39 eV toward the CO 2 product.
Topics & Concepts
CatalysisDensity functional theoryElectrochemistryRedoxTransition metalAb initioCluster (spacecraft)Materials sciencePhysical chemistryChemistryInorganic chemistryComputational chemistryElectrodeOrganic chemistryProgramming languageComputer scienceCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen Reduction