A Novel Phase‐Transformation Activation Process toward Ni–Mn–O Nanoprism Arrays for 2.4 V Ultrahigh‐Voltage Aqueous Supercapacitors

Wenhua Zuo, Chaoyue Xie, Pan Xu, +2

Advanced Materials

Regeneration of deactivated Fe2O3/Al2O3 oxygen carrier via alkali metal doping in chemical looping combustion

Zhong Ma, Junfeng Wang, Guofu Liu, +5

Fuel Processing Technology

Materials ScienceOxygen Reduction ReactionChemical EngineeringChemical LoopingEngineering +8

Effect of doping Cr on NH3 adsorption and NO oxidation over the FexOy/AC surface: A DFT-D study

Chaoyue Xie, Baozhong Zhu, Yunlan Sun, +2

Journal of Hazardous Materials

Materials ScienceMaterials EngineeringChemical EngineeringEngineeringFexoy/ac Surface +10

Adsorption mechanism of NH₃, NO, and O₂ molecules over the Fe_xO_y/AC catalyst surface: a DFT-D3 study

Chaoyue Xie, Yunlan Sun, Baozhong Zhu, +2

New Journal of Chemistry

Materials ScienceInorganic ChemistryChemical EngineeringAdsorption MechanismDft-d3 Study +13

The promoting mechanism of doping Mn, Co, and Ce on gas adsorption property and anti-SO2 oxidation over γ-Fe2O3 (001) surface: A density functional theory study

Chaoyue Xie, Yunlan Sun, Baozhong Zhu

Colloids and Surfaces A Physicochemical and Engineering Aspects

Oxide HeterostructuresMaterials ScienceEngineeringAnti-so2 OxidationSurface Chemistry +8

Adsorption mechanism of NH3, NO, and O2 molecules over MnxOy/Ni (111) surface: a density functional theory study

Baozhong Zhu, Yunlan Sun, Weiyi Song, +2

Journal of Materials Science

Materials ScienceAdsorption MechanismEngineeringSurface ChemistrySurface Analysis +7

A DFT-D study on the reaction mechanism of selective catalytic reduction of NO by NH₃ over the Fe₂O₃/Ni(111) surface

Chaoyue Xie, Baozhong Zhu, Yunlan Sun

New Journal of Chemistry

Materials ScienceInorganic ChemistryChemical EngineeringEngineeringDft-d Study +10

Density functional theory study on the reaction mechanism of selective catalytic reduction of NO by NH3 over the γ-Fe2O3 (0 0 1) surface

Chaoyue Xie, Yunlan Sun, Baozhong Zhu, +3

Computational and Theoretical Chemistry

Materials ScienceInorganic ChemistryCatalytic MaterialEngineeringReaction Mechanism +5

Understanding the roles of copper dopant and oxygen vacancy in promoting nitrogen oxides removal over iron-based catalyst surface: A collaborative experimental and first-principles study

Chaoyue Xie, Baozhong Zhu, Yunlan Sun, +2

Journal of Colloid and Interface Science

Materials ScienceOxygen VacancyChemical EngineeringCatalytic MaterialEngineering +8

Insight into the dissociation mechanism of ethanol molecule over the nano-aluminum surface: a density functional theory study

Chaoyue Xie, Yunlan Sun, Baozhong Zhu, +2

Journal of Materials Science

Materials ScienceNano-aluminum SurfaceEngineeringSurface ChemistryNatural Sciences +11