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INSIGHTS INTO THE ADSORPTION AND GAS SENSING PERFORMANCE OF Fe/Cu DOPED GRAPHENE The binding mechanism of gas molecules on material surfaces is essential for understanding adsorption and sensing performance. In the present study, we examine the interaction of some volatile organic compounds (VOC), including HCHO, C2H5OH, and CH3COCH3, on pristine graphene and its Fe/Cu-doped surfaces using first-principles calculations.
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