Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
文献类型：期刊论文
| 作者 | Long, Mengqiu1; Tang, Ling1; Wang, Dong1; Li, Yuliang2; Shuai, Zhigang1,2 |
| 刊名 | ACS NANO
 |
| 出版日期 | 2011-04-01 |
| 卷号 | 5期号:4页码:2593-2600 |
| 关键词 | Graphdiyne Sheet Nanoribbons Mobility Density Functional Theory Boltzmann Transport |
| ISSN号 | 1936-0851 |
| DOI | 10.1021/nn102472s |
| 英文摘要 | 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000289742100021 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/72599]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shuai, Zhigang |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：化学研究所
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