Heteroatom coordination induces electric field polarization of single Pt sites to promote hydrogen evolution activity
Xianyun Peng, Haihong Bao, Jiaqiang Sun, Zhiyong Mao, Yuan Qiu, Zhaojun Mo, Longchao Zhuo, Shusheng Zhang, Jun Luo, Xijun Liu
Abstract
, at an overpotential of 100 mV, which is 29.4 times greater than that of the commercial Pt/C counterpart. Density functional theory (DFT) calculations revealed that the polarized electric field could efficiently tailor the electronic structure of Pt-SA/MXene and reduce the energy barrier of adsorption/desorption of the H* intermediate step, further improving its HER catalytic activity.
Topics & Concepts
Electric fieldPolarization (electrochemistry)HeteroatomHydrogen bondMaterials scienceChemical physicsCrystallographyHydrogenChemistryPhysical chemistryPhysicsMoleculeOrganic chemistryRing (chemistry)Quantum mechanicsMXene and MAX Phase MaterialsElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques