Theoretical insight into two-dimensional M-Pc monolayer as an excellent material for formaldehyde and phosgene sensing
Huihui Xiong, Baixiong Liu, Haihui Zhang, Jing Qin
Topics & Concepts
MonolayerAdsorptionDensity functional theoryMoleculeCharge densityMaterials scienceMulliken population analysisChemistryFormaldehydeInorganic chemistryPhysical chemistryComputational chemistryNanotechnologyOrganic chemistryQuantum mechanicsPhysicsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices2D Materials and Applications