articleSurfaces and InterfacesMar 1, 2024Closed access

A comparative DFT study on the adsorption properties of lithium batteries thermal runaway gases CO, CO2, CH4 and C2H4 on pristine and Au doped CdS monolayer

FCFeiyu ChenCHChangxiang HongJJJiaming JiangZZZhenyu ZhangQZQu Zhou

Southwest University · State Grid Corporation of China (China) · +2 more institutions

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120
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Topics & keywords

Topics
Keywords
  • Materials science
  • Monolayer
  • Adsorption
  • Thermal runaway
  • Work function
  • Desorption
  • Lithium (medication)
  • Density functional theory
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