Elucidation of the mechanism of melamine adsorption on Pt(111) surface <i>via</i> density functional theory calculations
Kohei Tada, Shin‐ichi Yamazaki, Masafumi Asahi, Tsutomu Ioroi
Abstract
hybrid orbital, which prevents horizontal adsorption on the Pt surface. We believe that understanding these adsorption mechanisms will help in the molecular design of organic molecule-decorated Pt catalysts and will lead to the reduction of Pt usage in PEFCs.
Topics & Concepts
Density functional theoryAdsorptionMelamineMechanism (biology)Computational chemistrySurface (topology)ChemistryMaterials scienceChemical physicsPhysical chemistryChemical engineeringNanotechnologyPhysicsOrganic chemistryQuantum mechanicsGeometryMathematicsEngineeringAdvanced Photocatalysis TechniquesAdvanced biosensing and bioanalysis techniquesNanomaterials for catalytic reactions