DFT study of CO2 catalytic conversion by H2 over Ni13 cluster
Qiang Ke, Liming Kang, Xin Chen, You Wu
Topics & Concepts
CatalysisDensity functional theoryAdsorptionChemistryDissociation (chemistry)Cluster (spacecraft)SelectivityElementary reactionReaction mechanismActivation energyTransition statePhysical chemistryChemical physicsComputational chemistryPhotochemistryKineticsOrganic chemistryPhysicsQuantum mechanicsComputer scienceProgramming languageCarbon dioxide utilization in catalysisCO2 Reduction Techniques and CatalystsCatalysts for Methane Reforming