Electronegative Guests in CoSb3

Duan, Bo; Yang, Jiong; Salvador, James R.; He, Yang; Zhao, Bo; Wang, Shanyu; Wei, Ping; Ohuchi, Fumio; Zhang, Wenqing; Hermann, Raphael P.; Gourdon, Olivier; Mao, Scott; Cheng, Yingwen; Wang, Chongmin; Liu, Jun; Zhai, Pengcheng; Tang, Xinfeng; Zhang, Qingjie; Yang, Jihui

doi:10.1039/C6EE00322B

Title: Electronegative Guests in CoSb₃

Journal Article · Tue Apr 19 00:00:00 EDT 2016 · Energy & Environmental Science

DOI:https://doi.org/10.1039/C6EE00322B· OSTI ID:1261362

Duan, Bo ^[1]; Yang, Jiong ^[1]; Salvador, James R. ^[2]; He, Yang ^[3]; Zhao, Bo ^[1]; Wang, Shanyu ^[1]; Wei, Ping ^[1]; Ohuchi, Fumio ^[1]; Zhang, Wenqing ^[4]; Hermann, Raphael P. ^[5]; Gourdon, Olivier ^[6]; Mao, Scott ^[3]; Cheng, Yingwen ^[7]; Wang, Chongmin ^[7]; Liu, Jun ^[7]; Zhai, Pengcheng ^[8]; Tang, Xinfeng ^[8]; Zhang, Qingjie ^[8]; Yang, Jihui ^[1]

Univ. of Washington, Seattle, WA (United States)
General Motors (GM), Warren, MI (United States). Global Research and Development
Univ. of Pittsburgh, PA (United States)
Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Ceramics
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Wuhan Univ. (China)

Introducing guests into a host framework to form a so called inclusion compound can be used to design materials with new and fascinating functionalities. The vast majority of inclusion compounds have electropositive guests with neutral or negatively charged frameworks. Here, we show a series of electronegative guest filled skutterudites with inverse polarity. The strong covalent guest-host interactions observed for the electronegative group VIA guests, i.e., S and Se, feature a unique localized cluster vibration which significantly influences the lattice dynamics, together with the point-defect scattering caused by element substitutions, resulting in very low lattice thermal conductivity values. The findings of electronegative guests provide a new perspective for guest-filling in skutterudites, and the covalent filler/lattice interactions lead to an unusual lattice dynamics phenomenon which can be used for designing high-efficiency thermoelectric materials and novel functional inclusion compounds with open structures.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1261362

Journal Information:: Energy & Environmental Science, Vol. 9, Issue 6; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 79 works

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