Density functional theory study on dehydrogenation of methylcyclohexane on Ni–Pt(111)
Chengjing Mi, Yanping Huang, Fengtao Chen, Kui Wu, Weiyan Wang, Yunquan Yang
Topics & Concepts
MethylcyclohexaneDehydrogenationBimetallic stripCatalysisElectronegativityDensity functional theoryChemistryBinding energyMetalAdsorptionPhysical chemistryHydrogenCrystallographyComputational chemistryAtomic physicsOrganic chemistryPhysicsHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction