Computational design of two-dimensional Co-based boridenes: Functional group-dependent electronic properties and bifunctional HER/OER catalytic activity
Xiaobei Wan, Fengxian Ma, Hongbo Wu, Yalong Jiao
Topics & Concepts
BifunctionalCatalysisFunctional groupGroup (periodic table)Density functional theoryChemistryMaterials scienceComputational chemistryOrganic chemistryPolymerMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques