Hydride generation on the cu-doped ceo2(111) surface and its role in co2 hydrogenation reactions

HIGHLIGHTS

• who: Zhi-Qiang Wang and collaborators from the East China University of Science and Technology, Meilong Road, Shanghai, China have published the research work: Hydride Generation on the Cu-Doped CeO2(111) Surface and Its Role in CO2 Hydrogenation Reactions, in the Journal: Catalysts 2022, 12, 963. of /2022/
• what: The authors investigated the role of the Cu dopant on the CeO2 surface in the catalytic dissociation of H2 to produce hydride species. In this work, all spin-polarized DFT calculations were carried out using the Vienna Ab- initio Simulation Package (VASP) .
• how . . .
  

   

  

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