Theoretical progress of MXenes as electrocatalysts for the hydrogen evolution reaction
Pifang Wan, Qing Tang
Abstract
We reviewed recent theoretical progress in MXenes as HER electrocatalysts, covering structural and electronic properties, terminal group tunability, heteroatom doping, crucial activity descriptors, and advances in theoretical computational methods.
Topics & Concepts
MXenesHeteroatomMaterials scienceNanotechnologyChemistryOrganic chemistryRing (chemistry)MXene and MAX Phase MaterialsAdvanced Photocatalysis TechniquesAdvanced Memory and Neural Computing