Ultrafast processes in photochromic material YHxOy studied by excited-state density functional theory simulation
Jun Chai, Zewei Shao, Han Wang, Ming Chen, Wanseok Oh, Tang Ye, Yong Zhang, Xun Cao, Ping Jin, Shengbai Zhang, Yi‐Yang Sun
Topics & Concepts
PhotochromismPhotoexcitationTime-dependent density functional theoryMaterials scienceDensity functional theoryExcited statePhotochemistryMetastabilityOxygenChemical physicsHydrideExcitationComputational chemistryAtomic physicsChemistryMetalNanotechnologyOrganic chemistryPhysicsMetallurgyQuantum mechanicsPhotochromic and Fluorescence ChemistryAdvanced Photocatalysis TechniquesMachine Learning in Materials Science