Prediction of HER electrocatalyst with enhanced performance based on atoms-doped black phosphorene: A first-principles study
Tingting Liang, Jingpei Xie, Aiqin Wang, Douqin Ma, Zhiping Mao, Jian Wang, Haisheng Li
Topics & Concepts
PhosphoreneDopingElectrocatalystDensity functional theoryMaterials scienceCharge densityHydrogenElementary chargeChemical physicsChemistryComputational chemistryNanotechnologyPhysical chemistryElectronElectrodeElectrochemistryPhysicsOptoelectronicsMonolayerOrganic chemistryQuantum mechanicsElectrocatalysts for Energy ConversionMXene and MAX Phase Materials2D Materials and Applications