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Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
Long, Mengqiu1; Tang, Ling1; Wang, Dong1; Li, Yuliang2; Shuai, Zhigang1,2
2011-04-01
Source PublicationACS NANO
ISSN1936-0851
Volume5Issue:4Pages:2593-2600
AbstractUsing 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.
KeywordGraphdiyne Sheet Nanoribbons Mobility Density Functional Theory Boltzmann Transport
DOI10.1021/nn102472s
Indexed BySCI
Language英语
WOS IDWOS:000289742100021
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:445[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/72600
Collection中国科学院化学研究所
Corresponding AuthorShuai, Zhigang
Affiliation1.Tsinghua Univ, Key Lab Organ OptoElect & Mol Engn, Dept Chem, Beijing 100084, Peoples R China
2.Chinese Acad Sci, Key Lab Organ Solids, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Long, Mengqiu,Tang, Ling,Wang, Dong,et al. Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions[J]. ACS NANO,2011,5(4):2593-2600.
APA Long, Mengqiu,Tang, Ling,Wang, Dong,Li, Yuliang,&Shuai, Zhigang.(2011).Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions.ACS NANO,5(4),2593-2600.
MLA Long, Mengqiu,et al."Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions".ACS NANO 5.4(2011):2593-2600.
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