CO2 adsorption and dissociation performance of metal-doped h−BN: A DFT study on the electronic-geometric synergistic effect
Lijia Chen, Huaping Xiong, Dongxia Zhang, Bo Xie, Zheming Ni, Shengjie Xia
Topics & Concepts
AdsorptionDissociation (chemistry)DopingMetalCatalysisChemistryComputational chemistryMaterials sciencePhysical chemistryInorganic chemistryOrganic chemistryOptoelectronicsAmmonia Synthesis and Nitrogen ReductionMetal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials Science