GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency

	GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency
	Zhao, Tianqi 1; Sun, Yajing 1; Shuai, Zhigang 1,2,3; Wang, Dong 1
刊名	CHEMISTRY OF MATERIALS
	2017-08-08
卷号	29 期号:15 页码:6261-6268
英文摘要	The successful demonstration of SnSe single crystals as promising thermoelectric materials highlights alternative strategies to nano structuring for achieving high thermoelectric efficiency. It stimulates us to screen the periodic table for earth-abundant materials with layered crystal structures and intrinsically low thermal conductivity. GeAs2 is made from group IV and V elements within the same period as selenium, and it exhibits anisotropic and anharmonic bonding character similar to the IV-VI group compound SnSe. Here we present a theoretical investigation of the electronic structure, phonon dispersion, and electron-phonon couplings of monolayer GeAs2 to predict its electrical and thermal transport properties: GeAs2 features flat band and multivalley convergence that give rise to large Seebeck coefficients. Romarkably, monolayer GeAs2 demonstrates anisotropic and amazingly low lattice thermal conductivity of 6.03 W m(-1) K-1 and 0.68 W m(-1) K-1 at 300 K in the a and b directions, respectively, which we attribute to its soft vibrational modes and anomalously high Gruneisen parameter. The ultralow thermal conductivity leads to maximum thermoelectric figures of merit of 2.1 and 1.8 for n-type and p-type, respectively, at 900 K. These intriguing attributes distinguish GeAs2 from other 2D materials and make it a promising candidate for environmentally friendly thermoelectric applications.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/39322]
专题	化学研究所_有机固体实验室
作者单位	1.Tsinghua Univ, Dept Chem, MOE Key Lab Organ OptoElect & Mol Engn, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Inst Chem, BNLMS, Key Lab Organ Solids, Beijing 100190, Peoples R China 3.Xiamen Univ, Collaborat Innovat Ctr Chem Energy Mat, Xiamen 351005, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Tianqi,Sun, Yajing,Shuai, Zhigang,et al. GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency[J]. CHEMISTRY OF MATERIALS,2017,29(15):6261-6268.
APA	Zhao, Tianqi,Sun, Yajing,Shuai, Zhigang,&Wang, Dong.(2017).GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency.CHEMISTRY OF MATERIALS,29(15),6261-6268.
MLA	Zhao, Tianqi,et al."GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency".CHEMISTRY OF MATERIALS 29.15(2017):6261-6268.