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
Feiyu Chen, Changxiang Hong, Jiaming Jiang, Zhenyu Zhang, Qu Zhou
Topics & Concepts
Materials scienceMonolayerAdsorptionThermal runawayWork functionDesorptionLithium (medication)Density functional theoryThermal desorptionDopingChemical engineeringElectrolyteBattery (electricity)NanotechnologyPhysical chemistryLayer (electronics)ElectrodeThermodynamicsComputational chemistryChemistryOptoelectronicsMedicineEngineeringPower (physics)EndocrinologyPhysicsGas Sensing Nanomaterials and SensorsAdvancements in Battery MaterialsCatalytic Processes in Materials Science