Theoretical study of the mechanism for photocatalytic CO<sub>2</sub> reduction to methanol over layered double hydroxides
Simin Xu, Rui Xu, Yuquan Zhu, Ling Zhu, Yingtong Zong
Abstract
The Jahn–Teller effect of Cu leads to the structural distortion of (ZnCu) 2 Ga–NO 3 –LDH, which results in a special adsorption geometry of the key intermediate CH 3 OH*, preventing it from over-reduction and thus improving the selectivity for CH 3 OH.
Topics & Concepts
Layered double hydroxidesReduction (mathematics)SelectivityAdsorptionPhotocatalysisJahn–Teller effectDistortion (music)ChemistrySelective reductionMethanolMechanism (biology)Key (lock)Inorganic chemistryMaterials scienceChemical engineeringCatalysisPhysicsIonPhysical chemistryComputer scienceMathematicsGeometryOrganic chemistryOptoelectronicsEngineeringAmplifierCMOSQuantum mechanicsComputer securityAdvanced Photocatalysis TechniquesLayered Double Hydroxides Synthesis and ApplicationsCovalent Organic Framework Applications