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

Long, Mengqiu, Tang, Ling, Wang, Dong, Li, Yuliang, Shuai, Zhigang·2011·ACS Nano

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 lower.

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Metadata

Authors
Long, M., Tang, L., Wang, D., Li, Y., & Shuai, Z.
Venue
ACS Nano
Published
2011-03-28
Volume
5
Issue
4
Pages
2593-2600
ISSN
  • 1936-0851 (ISSN-L)
  • 1936-086X
OpenAlex
W2316229497
Cited by
982
References
34
FWCI
17.35
Type
journal article
Language
en
Open access
closed

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