Hydrogen evolution reaction at the interfaces of two-dimensional lateral heterostructures: a first-principles study
Huimin Hu, Jin‐Ho Choi
Abstract
decreases monotonically with increase in the p-band center, indicating that s-p hybridization plays a crucial role in determining the adsorption strength. These findings are expected to be broadly applicable to other 2D lateral heterostructures, providing a new strategy for hydrogen production.
Topics & Concepts
HeterojunctionMaterials scienceNanotechnologyHydrogenChemical physicsChemistryComputational chemistryOptoelectronicsOrganic chemistrynanoparticles nucleation surface interactionsAdvanced Chemical Physics StudiesElectrocatalysts for Energy Conversion