DICP OpenIR
Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory
Wu, Tao1; Sun, Lei2; Shi, Qi1; Deng, Kaiming1; Deng, Weiqiao2; Lu, Ruifeng1,2
刊名JOURNAL OF CHEMICAL PHYSICS
2016-12-21
DOI10.1063/1.4971431
145期:23
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Physics
关键词[WOS]EXCESS ELECTRON-TRANSFER ; ORGANIC SEMICONDUCTORS ; CHARGE-TRANSPORT ; HOLE TRANSFER ; TRANSFER DYNAMICS ; SIMULATION ; MOLECULES ; GUANINE ; SYSTEMS
英文摘要Charge mobilities of six DNAs and RNAs have been computed using quantum chemistry calculation combined with the Marcus-Hush theory. Based on this simulation model, we obtained quite reasonable results when compared with the experiment, and the obtained charge mobility strongly depends on the molecular reorganization and electronic coupling. Besides, we find that hole mobilities are larger than electron mobilities no matter in DNAs or in RNAs, and the hole mobility of 2L8I can reach 1.09 x 10(-1) cm(2) V-1 s(-1) which can be applied in the molecular wire. The findings also show that our theoretical model can be regarded as a promising candidate for screening DNA-and RNA-based molecular electronic devices. Published by AIP Publishing.
语种英语
WOS记录号WOS:000391688900049
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/151858
专题中国科学院大连化学物理研究所
作者单位1.Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China
2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
推荐引用方式
GB/T 7714
Wu, Tao,Sun, Lei,Shi, Qi,et al. Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory[J]. JOURNAL OF CHEMICAL PHYSICS,2016,145(23).
APA Wu, Tao,Sun, Lei,Shi, Qi,Deng, Kaiming,Deng, Weiqiao,&Lu, Ruifeng.(2016).Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory.JOURNAL OF CHEMICAL PHYSICS,145(23).
MLA Wu, Tao,et al."Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory".JOURNAL OF CHEMICAL PHYSICS 145.23(2016).
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
[Shi, Qi]的文章
百度学术
百度学术中相似的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
[Shi, Qi]的文章
必应学术
必应学术中相似的文章
[Wu, Tao]的文章
[Sun, Lei]的文章
[Shi, Qi]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。