The charge effects on the hydrogen evolution reaction activity of the defected monolayer MoS<sub>2</sub>
Jing Zhang, Dongying Li, Lin Ju, Gui Yang, Di Yuan, Zhenzhen Feng, Wentao Wang
Abstract
is not only influenced by as previously thought, but also by formation energies, charge state and Fermi level position of defects. The underlying physics could be deduced from the charge-induced changes in electronic structures. Our work highlights the defect charge effects on the electrochemical reactions and offers plausible mechanisms of defect charge effects.
Topics & Concepts
Fermi levelMonolayerDopingDensity functional theoryCharge (physics)Atom (system on chip)HydrogenElementary chargeChemistryMaterials scienceChemical physicsComputational chemistryNanotechnologyPhysicsElectronQuantum mechanicsComputer scienceOrganic chemistryEmbedded systemOptoelectronicsElectrocatalysts for Energy Conversion2D Materials and ApplicationsMXene and MAX Phase Materials