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纳米能源材料

===== [能源材料之一:热电转换]: Thermoelectrics =====

热电转换技术是利用太阳能中的新型能量转换技术之一(另外重要的利用太阳能技术是光伏工程和光合作用)。热电转换技术(也称温差电技术)是利用热电效应进行热能和电能相互转换的技术,可以通过把太阳的热辐射、工业余热或汽车的废热等等热源产生的热能转换成电能从而成为新型的发电技术,也可以反过来进行电热转换从而实现制冷的作用。由于热电器件相对于普通制冷设备(如电冰箱等) 具有相当高的稳定性,常常可以被应用于极端环境能源供给或电子制冷,特别是在航空卫星、野外作业以及计算机芯片制冷等方面有广泛的应用。不过由于目前热电设备的能量转换效率相当低,从而极大地限制了热电技术的应用。如果热电转换效率能够大幅度提高,热电技术不但可以有广泛的工业应用,而且有可能成为解决当前世界能源危机的重要技术。因此,如何提高热电转换效率是当前的研究热点。

热电转换效率的高低主要取决于热电材料的性能优劣。热电材料的性能通常用无量纲热电优值ZT表示: ZT=σS^2T/(κ_e+κ_l) ,其中κ_e是电导率,S是Seebeck系数,T是温度,κ_e和κ_l 分别是电子和晶格的热导率。ZT值越大,热电转换的效率就越高。κ体现的是材料的热传输性能。从以上ZT的表达式可以看出提高ZT值的有效途径,是要提高材料的电传输性能同时降低材料的热传输性能。

但是由于电导率、Seebeck系数以及热导率并不是完全彼此独立的,而是相互之间有关联,并受制于材料的晶体结构、电子结构以及载流子浓度的大小等等因素。比如在很多半导体或金属材料中,电导率的提高往往伴随着Seebeck系数的下降,热电优值的提高并不容易。因此,对于材料的电、热输运机制的深入了解将有助于寻找或设计高效的热电材料。

热传导不单单是凝聚态物理、能源技术中的研究对象,而且是热力学与统计物理中很重要的研究内容。比如热传导的微观机制一直是非平衡态统计物理的研究热点问题。热传导的微观机制主要涉及到声子的输运。虽然在晶格中的声子的输运问题已经有很多研究,但在纳米材料的热导问题上,还有很多亟待探索的地方。比如,纳米微结构、纳米界面、纳米颗粒的大小及其由于晶格失配引起的局域应变场等等因素对热导的具体贡献是什么还没有一个准确的理论。因此发展一套能够准确描述纳米材料的热传导性质的理论是当前热电研究的急需,对能源技术的发展将有相当重要的意义。

我们的工作旨在通过对材料的电输运和热输运的机理进行深入的研究,从而为提高热电材料的性能提供理论基础和科学依据。

**部分相关论文:**

104. Jin-Cheng Zheng,Liang Zhang,Andrey V Kretinin,S Morozov,Yi Bo Wang,Tun Wang,Xiaojun Li,Fei Ren,Jingyu Zhang,Ching-Yu Lu,Jia-Cing Chen,Miao Lu,Hui-Qiong Wang,Andre Geim,Konstantin Novoselov,
High thermal conductivity of hexagonal boron nitride laminates,
2D Materials 3, 011004 (2016) Published: MAR 2016
http://dx.doi.org/10.1088/2053-1583/3/1/011004

100. Tie-Yu Lü, Jin-Cheng Zheng and Yufeng Zhang,
Degenerate Effect on the Mobility of Holes in Graphane: A Study Based on Density Functional Theory Coupled with Deformation Potential Theory,
Chem. Phys. Chem, 16, 3015-3020 (2015)
http://dx.doi.org/10.1002/cphc.201500491

99. Zheng Huang, Tie-Yu Lü, Hui-Qiong Wang, and Jin-Cheng Zheng
Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO
AIP Advances 5, 097204 (2015);
http://dx.doi.org/10.1063/1.4931820

98. Zheyong Fan, Luiz Felipe C. Pereira, Hui-Qiong Wang, Jin-Cheng Zheng, Davide Donadio, Ari Harju,
Force and heat current formulas for many-body potentials in molecular dynamics simulation with applications to thermal conductivity calculations
Phys. Rev. B 92, 094301 (2015)
http://dx.doi.org/10.1103/PhysRevB.92.094301

http://arxiv.org/abs/1503.06565

83. Lin, Weiqing; Shih, Tien-Mo; Zheng, Jin-Cheng; Zhang, Yufeng; Chen, Jincan.
Coupling of temperatures and power outputs in hybrid photovoltaic and thermoelectric modules,
International Journal of Heat and Mass Transfer, 74, 121-127 (2014)

http://dx.doi.org/10.1016/j.ijheatmasstransfer.2014.02.075

77. Lijun Wu, Qingping Meng, Christian Jooss,Jin-Cheng Zheng, H. Inada,Dong Su,Qiang Li,Yimei Zhu,*
Origin of Phonon Glass–Electron Crystal Behavior in Thermoelectric Layered Cobaltate,
Advanced Functional Materials, Volume 23, Issue 46,  pages 5728–5736, December 10, 2013
Article first published online: 13 JUN 2013
http://dx.doi.org/10.1002/adfm.201301098

74. Jiaqing He, Li-Dong Zhao, Jin-Cheng Zheng, Jeff Doak, Haijun Wu, Hui-Qiong Wang, Yeseul Lee, Chris Wolverton, Mercouri G. Kanatzidis, and Vinayak P Dravid,
Role of Sodium Doping in Lead Chalcogenide Thermoelectrics,
Journal of the American Chemical Society, 135, 4624 (2013)
Publication Date (Web): February 27, 2013
http://dx.doi.org/10.1021/ja312562d

73. Y.L.Li, Zheyong Fan, and Jin-Cheng Zheng,
Enhanced thermoelectric performance in graphitic ZnO (0001) nanofilms,
Journal of Applied Physics 113, 083705 (2013)
http://dx.doi.org/10.1063/1.4792469

70. Jiaqing He , Ivan Blum , Hui-Qiong Wang , Steven Girard , Jeff William Doak , Lidong Zhao , Jin-Cheng Zheng , G. Casillas , Chris Wolverton , Miguel Jose-Yacaman , David Seidman , Mercouri G. Kanatzidis , and Vinayak P Dravid
Morphology Control of Nanostructures: Na-doped PbTe-PbS System
Nano Letters 12(11), pp 5979-5984 (2012)
http://dx.doi.org/10.1021/nl303449x

69. Zheyong Fan, Jiansen Zheng, Hui-Qiong Wang, and Jin-Cheng Zheng*
Enhanced thermoelectric performance in three-dimensional superlattice of topological insulator thin films
Nanoscale Research Letters, 7, 570 (2012)
http://dx.doi.org/10.1186/1556-276X-7-570
 
68. J. Q. He, S. N. Girard, J. C. Zheng, L. D. Zhao, M. G. Kanatzidis, V. P. Dravid,
Strong Phonon Scattering by Layer Structured PbSnS2 in PbTe Based Thermoelectric Materials,
Advanced Materials, 24(32), 4440-4444, 2012
http://dx.doi.org/10.1002/adma.201201565

  * J. Q. He*, J. R. Sootsman, L. Q. Xu, S. N. Girard, J-C Zheng*, M. G. Kanatzidis*, V. P. Dravid*,
Anomalous Electronic Transport in Dual-Nanostructured Lead Telluride,
Journal of the American Chemical Society 133 (23), pp 8786–8789 (2011)

  * Zheyong Fan, Hui-Qiong Wang, and Jin-Cheng Zheng*
Searching for the best thermoelectrics through the optimization of transport distribution function
Journal of Applied Physics, 109, 073713 (2011)

  * Ning Wei, Lanqing Xu, Hui-Qiong Wang and Jin-Cheng Zheng*,
Strain engineering of thermal conductivity in graphene sheets and nanoribbons: a demonstration of magic fexibility
Nanotechnology 22, 105705 (2011)

  * Lanqing Xu, Hui-Qiong Wang, Jin-Cheng Zheng*,
Thermoelectric properties of PbTe,SnTe,and GeTe at high pressure: an ab initio study,
Journal of Electronic Materials, 40, 641 (2011)

  * Lanqing Xu, Yongping Zheng, Jin-Cheng Zheng*,
Thermoelectric transport properties of PbTe under pressure,
Physical Review B, 82, 195102 (2010).

  * Jiaqing He, Joseph R. Sootsman, Steven N. Girard, Jin-Cheng Zheng, Jianguo Wen, Yimei Zhu, Mercouri G. Kanatzidis, Vinayak P. Dravid,
On the Origin of Increased Phonon Scattering in Nanostructured PbTe Based Thermoelectric Materials,
Journal of the American Chemical Society, 132 (25), pp 8669–8675 (2010).

  * Jiaqing He, Aurelie Gurguen, Joseph R. Sootsman, Jin-Cheng Zheng, Lijun Wu, Yimei Zhu, Mercouri G. Kanatzidis, Vinayak P. Dravid,
Role of self-organization, nanostructuring, and lattice strain on phonon transport in NaPb18-xSnxBiTe20 thermoelectric materials,
Journal of the American Chemical Society, 131 (49), pp 17828–17835 (2009)

  * Lijun Wu, Jin-Cheng Zheng, Juan Zhou, Qiang Li, Jihui Yang and Yimei Zhu
Nanostructures and defects in thermoelectric AgPb18SbTe20 single crystal
Journal of Applied Physics 105, 094317 (2009)

  * Jin-Cheng Zheng,
Recent advances on thermoelectric materials
Frontiers of Physics in China, 3(3), 269-279 (2008) (invited review).

 

===== [能源材料之二:锂电池]: Li-ion Batteries  =====
 
部分相关论文:

86. Dai, Yang; Cai, Sendan; Wu, Lijun; Yang, Weijing; Xie, Jingying; Wen, Wen; Zheng, Jin-Cheng; Zhu, Yimei
Surface modified CFx cathode material for ultrafast discharge and high energy density
Journal of Materials Chemistry A  Volume: 2   Issue: 48   Pages: 20896-20901   Published: 2014
http://dx.doi.org/10.1039/c4ta05492j

  * Lijun Wu, Kyung-Wan Nam, Xiaojian Wang, Yongning Zhou, Jin-Cheng Zheng, Xiao-Qing Yang, Yimei Zhu,
Structural origin of overcharge-induced thermal instability of Ni-containing layered-cathodes for high-energy-density lithium batteries,
Chemistry of Materials, 23 (17), pp 3953–3960 (2011)

 

===== [能源材料之三:光伏/光电能源材料]: Photovoltaics / Opto-electronic semiconductor  =====
 
部分相关论文:

102. Jiajie Pei, Jiong Yang, Renjing Xu, Yong-Hui Zeng, Ye Win Myint, Shuang Zhang,
Jin-Cheng Zheng, Qinghua Qin, Xibin Wang, Wugui Jiang, and Yuerui Lu
Exciton and Trion Dynamics in Bilayer MoS2
Small, Volume 11, Issue 48, Pages 6384–6390,  December 22, 2015
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96. Jiong Yang , Tieyu Lü , Ye Win Myint , Jiajie Pei , Daniel MacDonald , Jin-Cheng Zheng , and Yuerui Lu
Robust Excitons and Trions in Monolayer MoTe2
ACS Nano.  9 (6), pp 6603–6609 (2015),
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Publication Date (Web): June 3, 2015

85. Zhou, Hua; Wang, Hui-Qiong; Li, Yaping; Li, Kongyi; Kang, Junyong; Zheng, Jin-Cheng; Jiang, Zheng; Huang, Yuying; Wu, Lijun; Zhang, Lihua; Kisslinger, Kim; Zhu, Yimei
Evolution of Wurtzite ZnO Films on Cubic MgO (001) Substrates: A Structural, Optical, and Electronic Investigation of the Misfit Structures,
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81. Lihan Cai, Xianpei Ren, Baodian Fan, Jincheng Zheng, Chao Chen,
Effect of temperature on crystalline silicon solar cells processed from chemical and metallurgical route,
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80. Xia-Xia Liao, Taishan Wang*, Jizheng Wang, Jin-Cheng Zheng*, Chunru Wang, and Vivian Wing-Wah Yam*,
Optoelectronic Properties of a Fullerene Derivative Containing Adamantane Group,
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79. Zhe Qi, Xiaxia Liao, Jincheng Zheng, Chong-an Di, Xike Gao, and Jizheng Wang,
High-performance n-type organic thin-film phototransistors based on a core-expanded naphthalene diimide,
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78. Xiaxia Liao, Xingang Zhao, Zhi-Guo Zhang*, Huiqiong Wang, Xiaowei Zhan, Jizheng Wang* and Jincheng Zheng *,
All-Polymer Solar Cells Based on Side-Chain-Isolated Polythiophenes and
Poly(perylene diimide-alt-dithienothiophene),
Solar Energy Materials and Solar Cells, Volume 117, October 2013, Pages 336–342
http://dx.doi.org/10.1016/j.solmat.2013.06.035

  * Tie-Yu Lü, Xia-Xia Liao, Hui-Qiong Wang, Jin-Cheng Zheng, Tuning the indirect-direct band gap transition of SiC, GeC and SnC monolayer in graphene-like honeycomb structure by strain engineering: a quasiparticle GW study, Journal of Materials Chemistry, 22, 10062-10068 (2012)

  * Hua Zhou, Hui-Qiong Wang*, Xia-Xia Liao, Yufeng Zhang, Jin-Cheng Zheng, Jiaou Wang, Mingjiang Yi, Haijie Qian, Kurash Ibrahim, Xiaohang Chen, Huahan Zhan, Junyong Kang,
Tailoring of non-polar and polar ZnO planes on MgO (001) through molecular beam epitaxy
Nanoscale Research Letters 7: 184 (2012)

  * Tie-Yu Lü, Jin-Cheng Zheng*,Electronic properties of pseudocubic IV-V compounds with 3:4 stoichiometry: Chemical Trends, Chemical Physics Letters, 501, 47-53 (2010)

  * Yang Zhang, Yu-Hua Wen, Jin-Cheng Zheng, Zi-Zhong Zhu, Direct to indirect band gap transition in ultrathin ZnO nanowires under uniaxial compression, Applied Physics Letters, 94, 113114 (2009)

  * Xiao Shen, Philip B. Allen, James T. Muckerman James W. Davenport, and Jin-Cheng Zheng,  Wire versus Tube: Stability of Small One Dimensional ZnO Nanostructures,  Nano Letters,7(8), 2267 - 2271, (2007).

  * Jin-Cheng Zheng, Hui-Qiong Wang, A. T. S. Wee, and C. H. A. Huan, Possible complete miscibility of (BN)x(C2)1-x alloys. Physical Review B 2002, 66(9): 092104 (arXiv: cond-mat/0203423)

  * K. P. Loh, X. N. Xie, S. W. Yang and J. C. Zheng, Oxygen Adsorption on (111)-Oriented Diamond: A study with Ultraviolet Photoelectron Spectroscopy, Temperature-Programmed Desorption and Periodic Density Functional Theory, Journal of Physical Chemistry B 2002, 106: 5230-5240.

  * K. P. Loh, X. N. Xie, Y. H. Lim, E. J. Teo, J. C. Zheng, T. Ando, Surface oxygenation studies on (100)-oriented diamond using an atom beam source and local anodic oxidation, Surface Science 2002, 505: 93-114.

  * Jin-Cheng Zheng, Hui-Qiong Wang, A.T.S.Wee, and C. H. A. Huan, Trends in bonding configuration at SiC and III-V semiconductor interfaces. Applied Physics Letters 2001 (Sept), 79(11): 1643-1645 (arXiv: cond-mat/0203495)

 

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