Atomic regulation to improve the sensing-performance of CoPc and NiPc monolayer toward chloromethane molecule: Insights from DFT calculations
Zhifeng Nie, Rou Xue, Xing He, Gang Xie, Huihui Xiong
Topics & Concepts
MonolayerChloromethaneAdsorptionBimetallic stripMaterials scienceDensity functional theoryMoleculePhthalocyanineCharge densityChemical physicsNanotechnologyMetalPhysical chemistryComputational chemistryChemistryOrganic chemistryCatalysisMetallurgyQuantum mechanicsPhysicsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and DevicesTransition Metal Oxide Nanomaterials