Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

Long, Mengqiu; Tang, Ling; Wang, Dong; Li, Yuliang; Shuai, Zhigang

doi:10.1021/nn102472s

Cited by 871 publications

(746 citation statements)

References 45 publications

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“…D LA can also be obtained by simulating lattice dilation of the unit cell and by measuring the change of Fermi level with respect to strains ( Figure S2, Supporting Information). [21,22] along zigzag and armchair directions exhibit almost the same values (5.14 and 5.0 eV, respectively), which is also in agreement with previous theoretical results. [24] Stanene also shows nearly the same D LA values along zigzag and armchair directions, but about one order of magnitude smaller compared to graphene.…”

Section: Full Electron-phonon Couplings and Deformation Potentialssupporting

confidence: 92%

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings

Nakamura

Zhao

et al. 2017

Adv Elect Materials

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The intrinsic charge transport of stanene is investigated by using density functional theory and density functional perturbation theory coupled with Boltzmann transport equations at the first‐principles level. The Wannier interpolation scheme is applied to calculate the charge carrier scatterings with all branches of phonons considering dispersion for the whole range of the first Brillouin zone. The intrinsic electron and hole mobilities are calculated to be (2–3) × 103 cm2 V−1 s−1 at 300 K. It is found that the intervalley scatterings from the out‐of‐plane and the transverse acoustic phonon modes dominate the carrier transport process. By contrast, the mobilities obtained by the conventional deformation potential approach are found to be as large as (2–3) × 106 cm2 V−1 s−1 at 300 K, in which the longitudinal acoustic phonon scattering in the long wavelength limit is assumed to be the dominant scattering mechanism. The inadequacy of the deformation potential approximation in stanene is attributed to the buckling in its honeycomb structure, which originates from the sp2–sp3 orbital hybridization and breaks the planar symmetry. This paper further proposes a strategy to enhance carrier mobilities by suppressing the out‐of‐plane vibrations through clamping by a substrate.

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Section: Full Electron-phonon Couplings and Deformation Potentialssupporting

confidence: 92%

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings

Nakamura

Zhao

et al. 2017

Adv Elect Materials

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“…Besides graphene, graphyne, a new allotrope of carbon containing sp and sp 2 hybridized carbon atoms, has also been the subject of interest [20][21][22][23][24][25][26][27][28][29][30] . Due to the presence of acetylenic bonds in the structure, graphyne is thought to have rich electronic and optical properties that are different from those of graphene 31 .…”

Section: Introductionmentioning

confidence: 99%

Symmetry-dependent transport properties and bipolar spin filtering in zigzagα-graphyne nanoribbons

Chang

Tan

et al. 2012

Phys. Rev. B

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First-principles calculations are performed to investigate the transport properties of zigzag α-graphyne nanoribbons (ZαGNRs). It is found that asymmetric ZαGNRs behave as conductors with linear current-voltage relationship, whereas symmetric ZαGNRs have very small currents under finite bias voltages, similar to those of zigzag graphene nanoribbons. The symmetry-dependent transport properties arise from different coupling rules between the π and π * subbands around the Fermi level, which are dependent on the wavefunction symmetry of the two subbands. Based on the coupling rules, we further demonstrate the bipolar spin-filtering effect in the symmetric ZαGNRs. It is shown that nearly 100% spin-polarized current can be produced and modulated by the direction of bias voltage and/or magnetization configuration of the electrodes. Moreover, the magnetoresistance effect with the order larger than 500,000% is also predicted. Our calculations suggest ZαGNRs as one of promising candidate materials for novel spintronics.

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“…In the last few decades, the purity of s‐SWNTs can reach 99.9% by several postseparation methods,8, 9, 10, 11, 12, 13 especially by conjugated polymer‐assisted selective dispersion. At the same time, p–n junctions, heterojunctions, and asymmetric electrodes have been employed to promote the dissociation of excitons 14, 15, 16, 17, 18, 19. For example, the performance of s‐SWNTs IR photodetector was improved by using fullerene (C 60 ) as an electron acceptor to dissociate excitons 14, 15, 16.…”

mentioning

confidence: 99%

“…In addition, the performance of the photodetector can also be enhanced with asymmetric electrodes, such as scandium (Sc) and palladium (Pd) showing n‐type and p‐type contact with SWNTs, respectively 17, 18. Though significant progress has been made in the dissociation of excitons, the composite materials will influence the electrical performance of the SWNTs film, for example the on‐state current and carrier mobility usually decrease 14, 15, 16, 17, 18, 19…”

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confidence: 99%

Nonlocal Response in Infrared Detector with Semiconducting Carbon Nanotubes and Graphdiyne

et al. 2017

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Semiconducting single‐walled carbon nanotubes (s‐SWNTs) are regarded as an important candidate for infrared (IR) optical detection due to their excellent intrinsic properties. However, the strong binding energy of excitons in s‐SWNTs seriously impedes the development of s‐SWNTs IR photodetector. This Communication reports an IR photodetector with highly pure s‐SWNTs and γ‐graphdiyne. The heterojunctions between the two materials can efficiently separate the photogenerated excitons. In comparison to device fabricated only with s‐SWNTs, this IR detector shows a uniform response in the whole channel of the device. The response time is demonstrated to be below 1 ms. The optimal responsivity and detectivity approximately reach 0.4 mA W−1 and 5 × 106 cmHz1/2 W−1, respectively.

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Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

Cited by 871 publications

References 45 publications

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings

Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron–Phonon Couplings

Symmetry-dependent transport properties and bipolar spin filtering in zigzagα-graphyne nanoribbons

Nonlocal Response in Infrared Detector with Semiconducting Carbon Nanotubes and Graphdiyne

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