Machine-learning-assisted hydrogen adsorption descriptor design for bilayer MXenes
Weizhi Tian, Gongchang Ren, Yuanting Wu, Sen Lu, Yuan Huan, Tiren Peng, Peng Liu, Jiangong Sun, Hui Su, Hong Cui
Topics & Concepts
MXenesAdsorptionChemisorptionBilayerHydrogenDensity functional theoryMaterials scienceComputer scienceChemistryThermodynamicsComputational chemistryNanotechnologyPhysical chemistryPhysicsOrganic chemistryMembraneBiochemistryMXene and MAX Phase MaterialsHydrogen Storage and MaterialsAdvanced Photocatalysis Techniques