2015
DOI: 10.1021/acs.nanolett.5b03653
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Electrically Tunable van der Waals Interaction in Graphene–Molecule Complex

Abstract: van der Waals (vdW) interactions play a central role in the surface-related physics and chemistry. Tuning of the correlated charge fluctuation in a vdW complex is a plausible way of modulating the molecules interaction at the atomic surface. Here, we report the vdW interaction tunability of the graphene-CO2 complex by combining the first-principles calculations with the vdW density functionals and the time evaluation measurements of CO2 molecules adsorption/desorption on graphene under an external electric fie… Show more

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Cited by 54 publications
(71 citation statements)
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References 34 publications
(66 reference statements)
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“…e) Charge‐density distributions in the cut planes across the CO 2 at varied electrical fields (tuning voltages). Reproduced with permission . Copyright 2015, American Chemical Society.…”
Section: Mechanism and Characterization Of Sctdmentioning
confidence: 99%
See 1 more Smart Citation
“…e) Charge‐density distributions in the cut planes across the CO 2 at varied electrical fields (tuning voltages). Reproduced with permission . Copyright 2015, American Chemical Society.…”
Section: Mechanism and Characterization Of Sctdmentioning
confidence: 99%
“…SCTD is very susceptible to the external environment, such as the applied electric field, the in‐plane tensile strain, and incident light excitation. This also offers the possibility of rationally tuning the SCTD process . It is found that the charge‐transfer direction can be tuned by applying an external electric field.…”
Section: Mechanism and Characterization Of Sctdmentioning
confidence: 99%
“…However, it was difficult to validate such phenomenon experimentally as the previous methods in obtaining n ( t ) and µ ( t ) require sweeping the gate voltage V G across the charge neutral point (CNP) to track the incremental changes of the CNP voltage, ∆ V CNP (∆ n = C G ∆ V CNP /e c , where C G is the gate capacitance per unit area of the graphene FET, e c = 1.6 × 10 −19 C is the elementary charge, and ∆ n is the change of carrier density); while the range of V G sweeping needs to be large enough to cover the linear region of the graphene FET to extract µ ( t ) . These large gate voltage sweepings inevitably cause significant disturbance of the defect states on graphene due to the fluctuation of the graphene work function (a few hundred meV) and the flipping of the electric field direction at the graphene surface …”
Section: Introductionmentioning
confidence: 99%
“…[362] Both D3 and MBD have been shown to be very effective for many different types of problems, from ice cluster energies through crystal cohesion energies to basic chemistry and to surface adhesion to interactions with graphite and nanotubes. [260][261][262][263][264][265][266][267][268][269][270]341] This occurs despite fundamental limitations in the description of the interactions (Table 2). Success comes from the fact that these methods are designed to model interaction energies and geometries and are usually only applied for these purposes.…”
Section: à6mentioning
confidence: 99%
“…This includes a molecular n-bit shift register made by the controlled synthesis of large porphyrin assemblies on substrates containing leads fabricated using current silicon device technology. [259] The established synthetic strategies involve scanning tunnelling microscopy (STM)-induced reactions of molecules [260][261][262][263][264][265][266][267][268][269][270] on silicon surfaces performed with atomic precision, [271,272] that are subsequently linkable to porphyrins.…”
mentioning
confidence: 99%