Modeling thermoelectric transport in organic materials

doi:10.1039/c2cp42710a

CORC > 化学研究所 > 中国科学院化学研究所

	Modeling thermoelectric transport in organic materials
	Wang, Dong 1; Shi, Wen 1; Chen, Jianming 2; Xi, Jinyang 1; Shuai, Zhigang 1,2
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2012
卷号	14 期号:48 页码:16505-16520
ISSN号	1463-9076
DOI	10.1039/c2cp42710a
英文摘要	Thermoelectric energy converters can directly convert heat to electricity using semiconducting materials via the Seebeck effect and electricity to heat via the Peltier effect. Their efficiency depends on the dimensionless thermoelectric figure of merit of the material, which is defined as zT = S-2 sigma T/kappa with S, sigma, kappa, and T being the Seebeck coefficient, electrical conductivity, thermal conductivity, and absolute temperature respectively. Organic materials for thermoelectric applications have attracted great attention. In this review, we present our recent progress made in developing theories and computational schemes to predict the thermoelectric figure of merit at the first-principles level. The methods have been applied to model thermoelectric transport in closely-packed molecular crystals and one-dimensional conducting polymer chains. The physical insight gained in these studies will help in the design of efficient organic thermoelectric materials.
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000311735700001
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/47687]
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, MOE Key Lab Organ OptoElect & Mol Engn, Dept Chem, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Key Lab Organ Solids, BNLMS, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Wang, Dong,Shi, Wen,Chen, Jianming,et al. Modeling thermoelectric transport in organic materials[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2012,14(48):16505-16520.
APA	Wang, Dong,Shi, Wen,Chen, Jianming,Xi, Jinyang,&Shuai, Zhigang.(2012).Modeling thermoelectric transport in organic materials.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,14(48),16505-16520.
MLA	Wang, Dong,et al."Modeling thermoelectric transport in organic materials".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14.48(2012):16505-16520.