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A strategy of asymmetric local structure based on mesoporous MoO2 toward efficient electrocatalysis.

Xinyue ZhengWenjing WangGan JiaZhaosheng LiZhigang Zou
Published in: Chemical communications (Cambridge, England) (2021)
Combined with density functional theory (DFT) calculations, a substitutional heteroatom-doping approach is employed to design asymmetric local structures based on highly ordered mesoporous MoO2 nanostructures. Such synergistic strategies on increasing both the number and intrinsic activity of active sites jointly lead to a significant water oxidation performance boost.
Keyphrases
  • density functional theory
  • molecular dynamics
  • solid state
  • metal organic framework
  • highly efficient
  • hydrogen peroxide
  • mass spectrometry
  • drug delivery
  • electron transfer
  • crystal structure