2011
DOI: 10.1021/nn102472s
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Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

Abstract: Using density functional theory coupled with Boltzmann transport equation with relaxation time approximation, we investigate the electronic structure and predict the charge mobility for a new carbon allotrope, the graphdiyne for both the sheet and nanoribbons. It is shown that the graphdiyne sheet is a semiconductor with a band gap of 0.46 eV. The calculated in-plane intrinsic electron mobility can reach the order of 10(5) cm(2)/(V s) at room temperature, while the hole mobility is about an order of magnitude … Show more

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Cited by 908 publications
(757 citation statements)
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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%
“…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%
“…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%
“…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…”
mentioning
confidence: 99%