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- Ma, Jiang-JiangChinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China. (author)
Ultralow thermal conductivity and anisotropic thermoelectric performance in layered materials LaMOCh (M = Cu, Ag; Ch = S, Se)
- Article/chapterEnglish2022
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- 2022
- Royal Society of Chemistry,2022
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- LIBRIS-ID:oai:DiVA.org:uu-495283
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-495283URI
- https://doi.org/10.1039/d2cp02067jDOI
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- Language:English
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- In layered materials with the stacking axis perpendicular to the basal plane, anharmonicity strongly affects phonon propagation due to weak interlayer coupling, which is helpful to reduce the lattice thermal conductivity and improve the thermoelectric (TE) performance significantly. By combining first-principles calculations and the Boltzmann transport equation, we systematically analyzed and evaluated the lattice thermal conductivity and TE properties of LaMOCh (M = Cu, Ag; Ch = S, Se). The results indicate that these layered materials exhibit ultralow lattice thermal conductivities of 0.24-0.37 W m(-1) K-1 along the interlayer direction at room temperature. The low lattice thermal conductivities have been analyzed from some inherent phonon properties, such as low acoustic phonon group velocity, large Gruneisen parameters, and a short phonon relaxation time. Originating from their natural layered crystal structure, the thermal and electronic transports (i.e., thermal conductivity, Seebeck coefficient, and electrical conductivity) are both highly anisotropic between their intralayer and interlayer directions. Finally, we obtained ZT values of 1.17 and 1.26 at 900 K along the interlayer direction for n-type LaCuOSe and LaAgOSe, respectively. Generally, LaMOSe exhibit larger anisotropy than LaMOS, in both n- and p-types of doping. Our findings of low thermal conductivities and large anisotropic TE performances of these layered systems should stimulate much attention in BiCuOSe and alike layered TE families.
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- Liu, Qing-YiChinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China.;Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Peoples R China. (author)
- Liu, Peng-FeiChinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China. (author)
- Zhang, PingQufu Normal Univ, Sch Phys & Phys Engn, Qufu 273165, Peoples R China.;Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China. (author)
- Sanyal, BiplabUppsala universitet,Institutionen för fysik och astronomi(Swepub:uu)bisan676 (author)
- Ouyang, TaoXiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Peoples R China. (author)
- Wang, Bao-TianChinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China.;Qufu Normal Univ, Sch Phys & Phys Engn, Qufu 273165, Peoples R China.;Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China. (author)
- Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.;Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China.;Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Peoples R China. (creator_code:org_t)
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- In:Physical Chemistry, Chemical Physics - PCCP: Royal Society of Chemistry24:35, s. 21261-212691463-90761463-9084
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