Ultralow Thermal Conductivity and Thermoelectric Properties of Rb2Bi8Se13

Cai, Songting; Hao, Shiqiang; Luo, Yubo; Su, Xianli; Luo, Zhong-Zhen; Hu, Xiaobing; Wolverton, Christopher; Dravid, Vinayak P.; Kanatzidis, Mercouri G.

doi:10.1021/acs.chemmater.0c00703

Ultralow Thermal Conductivity and Thermoelectric Properties of Rb₂Bi₈Se₁₃

Journal Article · Fri Mar 27 00:00:00 EDT 2020 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.0c00703· OSTI ID:1777406

^[1]; ^[2]; Luo, Yubo ^[3]; ^[2]; ^[3]; ^[2]; ^[2]; ^[2]; ^[2]

Northwestern Univ., Evanston, IL (United States); Northwestern University
Northwestern Univ., Evanston, IL (United States)
Northwestern Univ., Evanston, IL (United States); Nanyang Technological Univ. (Singapore)

Complex bismuth chalcogenides are narrow band gap semiconductors with intrinsic low thermal conductivity, which exhibit high potential as highly efficient thermoelectric materials. Here, we assess the basic thermoelectric properties of polycrystalline Rb₂Bi₈Se₁₃ in the temperature range 300-823 K as well as performance-optimizing strategies. We find that the as-made bulk samples are single phase with the monoclinic crystal structure (P2₁/m) and crystallize in layer morphology. The pristine sample exhibits an exceedingly low lattice thermal conductivity of 0.6- 0.46 W·m^-1·K^-1 at 300-823 K, which derives from strong lattice anharmonicity, large Grüneisen parameters, and low phonon velocities induced by the complex crystal structure with heavy atom Bi and a large unit cell. Here, the Cl doping successfully enhances the carrier concentration in Rb₂Bi₈Se₁₃ with a negligible impact on the electronic band structure, displaying common doping behaviors. Se vacancy, on the contrary, leads to n-type doping and enhances the effective mass and power factors more significantly. Consequently, a maximum ZT of ~0.75 at 823 K for the 0.3% Se-vacancy-doped sample is obtained.

View Accepted Manuscript (DOE)

Research Organization:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; SC0014520

OSTI ID:: 1777406

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 8 Vol. 32; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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