Design of novel pentagonal 2D transitional-metal sulphide monolayers for hydrogen evolution reaction
Kin Long Ao, Yangfan Shao, Iat Neng Chan, Xingqiang Shi, Yoshiyuki Kawazoe, Ming Yang, Kar Wei Ng, Hui Pan
Topics & Concepts
MonolayerDensity functional theoryTransition metalMagnetic momentMaterials scienceMetalNanomaterialsHydrogenGibbs free energyChemical physicsCrystallographyCatalysisChemistryNanotechnologyComputational chemistryCondensed matter physicsThermodynamicsMetallurgyPhysicsOrganic chemistryBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques