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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 lower.
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Metadata
- Authors
- Long, M., Tang, L., Wang, D., Li, Y., & Shuai, Z.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- 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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