2018
DOI: 10.1063/1.5029510
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Field-induced structural control of COx molecules adsorbed on graphene

Abstract: Using the density functional theory combined with both the van der Waals correction and the effective screening medium method, we investigate the energetics and electronic structures of CO and CO 2 molecules adsorbed on graphene surfaces in the field-effect-transistor structure with respect to the external electric field by the excess electrons/holes. The binding energies of CO and CO 2 molecules to graphene monotonically increase with increasing hole and electron concentrations. The increase occurs regardless… Show more

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“…In many cases, the substrates underneath graphene can electrically dope the graphene. Doping induces additional charges in graphene that can strongly affect the growth of ad-molecules on top of the graphene. Indeed, the adsorption of several molecules, including water, oxygen, carbon monoxide, and carbon dioxide, on graphene exhibits a dependence on the graphene’s doping state. Such results strongly indicate the feasibility of modulating the assembly of OSC molecules on graphene by controlling the graphene’s electronic states.…”
Section: Controlled Growth Of Organic Semiconductor Molecules On Grap...mentioning
confidence: 99%
“…In many cases, the substrates underneath graphene can electrically dope the graphene. Doping induces additional charges in graphene that can strongly affect the growth of ad-molecules on top of the graphene. Indeed, the adsorption of several molecules, including water, oxygen, carbon monoxide, and carbon dioxide, on graphene exhibits a dependence on the graphene’s doping state. Such results strongly indicate the feasibility of modulating the assembly of OSC molecules on graphene by controlling the graphene’s electronic states.…”
Section: Controlled Growth Of Organic Semiconductor Molecules On Grap...mentioning
confidence: 99%