Metal embedded phthalocyanine monolayers as promising materials for toxic formaldehyde gas detection: insights from dft calculations

HIGHLIGHTS

  • who: Rou Xue and collaborators from the Yunnan Key Laboratory of Metal-Organic Molecular Materials and Device, School of Chemistry and Chemical, Kunming University, Kunming, China have published the research: Metal Embedded Phthalocyanine Monolayers as Promising Materials for Toxic Formaldehyde Gas Detection: Insights from DFT Calculations, in the Journal: Metals 2022, 1442 of /2022/
  • what: The authors performed the DFT calculation to determine the gas-sensing performance of palladium phthalocyanine (PdPc) and ruthenium phthalocyanine (RuPc) monolayers towards the CH2 O gas molecule.
  • how: In this work density functional theory (DFT) were employed to . . .

     

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