P- or S-Doped graphdiyne as a superior metal-free electrocatalyst for the hydrogen evolution reaction: a computational study
Siyao Wang, Dongxu Jiao, Jingwei Liu, Yongchen Shang, Jingxiang Zhao
Abstract
By carefully controlling the type and site of the P or S dopant, graphdiyne can be utilized as a promising electrocatalyst with high efficiency for the hydrogen evolution reaction.
Topics & Concepts
ChemistryElectrocatalystDopingMetalHydrogenInorganic chemistryNanotechnologyElectrochemistryPhysical chemistryOrganic chemistryElectrodeOptoelectronicsMaterials sciencePhysicsElectrocatalysts for Energy ConversionAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis Techniques