Carrier injection in nonbonding π states of N-doped graphene by an external electric field

Matsubara, Manaho; Okada, Susumu

doi:10.7567/jjap.56.075101

Cited by 3 publications

(3 citation statements)

References 42 publications

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“…7 Nevertheless, the electronic structure of graphene is fragile against the formation of hybrid structures with foreign materials, such as insulating substrates, [8][9][10][11] metal electrodes, 12 molecular/atomic adsorbates, [13][14][15][16][17][18][19][20][21] and structural defects. [22][23][24][25][26] Furthermore, an external electric field can tune the electronic structure of graphene and its hybrids. 27 That is, foreign materials can be detected by monitoring the electronic structure of graphene.…”

Section: Introductionmentioning

confidence: 99%

Field-induced structural control of COx molecules adsorbed on graphene

Matsubara

Okada

2018

Journal of Applied Physics

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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 of the molecular conformations to graphene and the counter electrode, indicating that the carrier injection substantially enhances the molecular adsorption on graphene. Injected carriers also modulate the stable molecular conformation, which is metastable in the absence of an electric field.

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Section: Introductionmentioning

confidence: 99%

Field-induced structural control of COx molecules adsorbed on graphene

Matsubara

Okada

2018

Journal of Applied Physics

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“…In our previous work, such hybrids under an electric field endow versatile electronic properties that are absent in an isolated graphene. 24,25) In graphene thin films, one of whose layers possesses defects, the Fermi level is sensitive to the relative arrangement of the defective graphene layer and the carrier species, leading to the Fermi level pinning for hole doping. 24) Charged nanoparticles adsorbed on graphene surfaces also provide unique electronic properties under carrier injection by the gate electrode.…”

Section: Introductionmentioning

confidence: 99%

“…24,25) In graphene thin films, one of whose layers possesses defects, the Fermi level is sensitive to the relative arrangement of the defective graphene layer and the carrier species, leading to the Fermi level pinning for hole doping. 24) Charged nanoparticles adsorbed on graphene surfaces also provide unique electronic properties under carrier injection by the gate electrode. 25) Despite the fact that the electronic structure of such hybrids under an electric field has been elucidated, the detailed energetics and geometric structures of hybrids under the electric field have not been well examined in detail yet.…”

Section: Introductionmentioning

confidence: 99%

Geometric structures of Al nanoparticles adsorbed on graphene under an external electric field

Matsubara

Okada

2017

Jpn. J. Appl. Phys.

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Using the density functional theory combined with the effective screening medium method, we studied geometric structures of Al nanoparticles adsorbed on graphene surfaces under electron/hole injection by a counter electrode. The equilibrium spacing between graphene and an Al nanoparticle is sensitive to their mutual arrangement with respect to the electrode, carrier concentration, and carrier species. For most cases, owing to the Coulomb attractive interaction between accumulated carriers in graphene or an Al nanoparticle and the counter electrode, the Al nanoparticle is desorbed from the graphene surfaces at the carrier concentration of approximately 0.5 e or 0.5 h per unit cell. *

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First‐Principles Investigation of Charged Germagraphene as a Cathode Material for Dual‐Carbon Batteries

et al. 2023

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As part of the concerted effort for development of energy storage technologies, dual‐ion batteries (DIBs) or dual‐carbon batteries (DCBs) are attracting interest, owing primarily to their eco‐friendly active materials. The use of carbon as the active materials of DCBs brings about several challenges involving capacity and stability. This contribution aims to provide an in‐depth understanding of the structural and electronic properties of Ge‐doped graphene (Germagraphene) as a novel cathode material for DCBs. Density functional theory (DFT) calculations are combined with the effective screening medium (ESM) method for analyzing the electronic and band structure of PF6− anion‐adsorbed Germagraphene under a potential bias. These theoretical investigations indicate that the use of Ge as a dopant for graphene has a positive impact on the adsorption of the anion on the cathode under both neutral and electrically biased conditions.

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Carrier injection in nonbonding π states of N-doped graphene by an external electric field

Cited by 3 publications

References 42 publications

Field-induced structural control of COx molecules adsorbed on graphene

Field-induced structural control of COx molecules adsorbed on graphene

Geometric structures of Al nanoparticles adsorbed on graphene under an external electric field

First‐Principles Investigation of Charged Germagraphene as a Cathode Material for Dual‐Carbon Batteries

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