Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment
文献类型：期刊论文
| 作者 | Luo, Guangfu1,2,3; Qian, Xuemin4; Liu, Huibiao4; Qin, Rui1,2; Zhou, Jing1,2; Li, Linze1,2; Gao, Zhengxiang1,2; Wang, Enge1,2; Mei, Wai-Ning5; Lu, Jing1,2 |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2011-08-08 |
| 卷号 | 84期号:7 |
| ISSN号 | 1098-0121 |
| DOI | 10.1103/PhysRevB.84.075439 |
| 英文摘要 | We report the electronic structure and optical properties of the recently synthesized stable two-dimensional carbon allotrope graphdiyne based on first-principles calculations and experimental optical spectrum. Due to the enhanced Coulomb interaction in reduced dimensionality, the band gap of graphdiyne increases to 1.10 eV within the GW many-body theory from a value of 0.44 eV within the density functional theory. The optical absorption is dominated by excitonic effects with a remarkable electron-hole binding energy of over 0.55 eV within the GW-Bethe-Salpeter equation calculation. Experimental optical absorption of graphdiyne films is performed, and comparison with the theoretical calculations is analyzed in detail. |
| 语种 | 英语 |
| WOS记录号 | WOS:000293618900024 |
| 出版者 | AMER PHYSICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/72975]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Luo, Guangfu |
| 作者单位 | 1.Peking Univ, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China 2.Peking Univ, Dept Phys, Beijing 100871, Peoples R China 3.Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan 4.Chinese Acad Sci, Key Lab Organ Solids, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China 5.Univ Nebraska Omaha, Dept Phys, Omaha, NE 68182 USA |
| 推荐引用方式 GB/T 7714 | Luo, Guangfu,Qian, Xuemin,Liu, Huibiao,et al. Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment[J]. PHYSICAL REVIEW B,2011,84(7). |
| APA | Luo, Guangfu.,Qian, Xuemin.,Liu, Huibiao.,Qin, Rui.,Zhou, Jing.,...&Nagase, Shigeru.(2011).Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment.PHYSICAL REVIEW B,84(7). |
| MLA | Luo, Guangfu,et al."Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment".PHYSICAL REVIEW B 84.7(2011). |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。