ReaxFF reactive molecular dynamics study on electrochemistry of H2/CO hybrid fuel in Ni/YSZ anode
Shuodong Mi, Cheng Bao, Xin Lv
Topics & Concepts
ReaxFFYttria-stabilized zirconiaElectrochemistrySyngasOxideAnodeChemical engineeringSolid oxide fuel cellMaterials scienceCatalysisPartial oxidationAdsorptionNickelInorganic chemistryChemistryCubic zirconiaMolecular dynamicsElectrodeOrganic chemistryPhysical chemistryMetallurgyCeramicComputational chemistryInteratomic potentialEngineeringAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science