Assembling pi-Conjugated Molecules with Negative Gaussian Curvature for   Efficient Carbon-Based Metal-Free Thermoelectric Material

doi:10.1021/acs.jpcc.6b08976

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	Assembling pi-Conjugated Molecules with Negative Gaussian Curvature for Efficient Carbon-Based Metal-Free Thermoelectric Material
	Yu, Jiabing ; Sun, Qiang ; Jena, Puru
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2016
关键词	BISMUTH TELLURIDE ENHANCEMENT CRYSTALS FIGURE MERIT
DOI	10.1021/acs.jpcc.6b08976
英文摘要	The development of efficient, lightweight, cost-effective, and environmentally friendly thermoelectric materials is critical for energy conversion devices. However, none of the existing thermoelectric materials satisfy these requirements. Herein, we predict a novel carbon-based metal-free thermoelectric material denoted as bct-C80S16 that is composed of a pi-conjugated saddle-shaped molecular unit with a negative Gaussian curvature, leading to a low lattice thermal conductivity while maintaining a high charge mobility. The resulting peak figure of merit (ZT) of 2.41 at 1000 K is much larger than those of conventional Bi- and Pb-based thermoelectric materials. Additionally, bct-C80S16 is highly porous and light, with a mass density of 1.11 g/cm(3). Such a high thermoelectric performance and low mass density would make this metal-free semiconducting material promising for practical applications in space-based technologies.; National Natural Science Foundation of China [NSFC-21173007, 11274023]; National Grand Fundamental Research 973 Program of China [2012CB921404]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-96ER45579]; SCI(E); ARTICLE; sunqiang@pku.edu.cn; 49; 27829-27833; 120
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/458035]
专题	工学院
推荐引用方式 GB/T 7714	Yu, Jiabing,Sun, Qiang,Jena, Puru. Assembling pi-Conjugated Molecules with Negative Gaussian Curvature for Efficient Carbon-Based Metal-Free Thermoelectric Material[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016.
APA	Yu, Jiabing,Sun, Qiang,&Jena, Puru.(2016).Assembling pi-Conjugated Molecules with Negative Gaussian Curvature for Efficient Carbon-Based Metal-Free Thermoelectric Material.JOURNAL OF PHYSICAL CHEMISTRY C.
MLA	Yu, Jiabing,et al."Assembling pi-Conjugated Molecules with Negative Gaussian Curvature for Efficient Carbon-Based Metal-Free Thermoelectric Material".JOURNAL OF PHYSICAL CHEMISTRY C (2016).