Decomposition mechanism of ethanol molecule on the nano-boron surface: An experimental and DFT study
Xiaolong Zhao, Baozhong Zhu, Yunlan Sun, Jiuyu Chen, Jianzhong Liu
Topics & Concepts
DehydrogenationDissociation (chemistry)Density functional theoryMoleculeBoronChemistryDecompositionReaction mechanismPotential energy surfaceCatalysisActivation energyComputational chemistryEthanolMaterials scienceChemical engineeringPhotochemistryPhysical chemistryOrganic chemistryEngineeringHeat transfer and supercritical fluidsCatalytic Processes in Materials ScienceNuclear Materials and Properties