First-principles insights into ammonia decomposition on WC (0001) surface terminated by W and C
Xianfa Rao, Yitao Lou, Yang Zhou, Jianbo Zhang, Shenweng Zhong
Topics & Concepts
DehydrogenationAdsorptionDecompositionDensity functional theoryDesorptionAmmoniaMaterials scienceHydrogenCatalysisChemical process of decompositionPhysical chemistryInorganic chemistryChemistryComputational chemistryOrganic chemistryCatalytic Processes in Materials ScienceAdvanced materials and compositesMXene and MAX Phase Materials