Basal plane activation in monolayer MoTe <sub>2</sub> for the hydrogen evolution reaction <i>via</i> phase boundaries
Yiqing Chen, Pengfei Ou, Xiaohan Bie, Jun Song
Abstract
The 2H/1T′ phase boundary activated hydrogen evolution reaction on two-dimensional transition metal dichalcogenides is well studied by comprehensive first-principles calculations.
Topics & Concepts
MonolayerBasal planeHydrogenPhase (matter)Phase boundaryChemistryTransition metalMaterials scienceCrystallographyCondensed matter physicsChemical physicsNanotechnologyCatalysisPhysicsOrganic chemistry2D Materials and ApplicationsElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques