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  Thinking Like a Chemist: Intuition in Thermoelectric Materials

Zeier, W. G., Zevalkink, A., Gibbs, Z. M., Hautier, G., Kanatzidis, M. G., & Snyder, G. J. (2016). Thinking Like a Chemist: Intuition in Thermoelectric Materials. Angewandte Chemie International Edition in English, 55(24), 6826-6841. doi:10.1002/anie.201508381.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-018B-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-6685-6
Genre: Journal Article

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 Creators:
Zeier, Wolfgang G.1, Author
Zevalkink, Alex2, Author              
Gibbs, Zachary M.1, Author
Hautier, Geoffroy1, Author
Kanatzidis, Mercouri G.1, Author
Snyder, G. Jeffrey1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              

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 Abstract: The coupled transport properties required to create an efficient thermoelectric material necessitates a thorough understanding of the relationship between the chemistry and physics in a solid. We approach thermoelectric material design using the chemical intuition provided by molecular orbital diagrams, tight binding theory, and a classic understanding of bond strength. Concepts such as electronegativity, band width, orbital overlap, bond energy, and bond length are used to explain trends in electronic properties such as the magnitude and temperature dependence of band gap, carrier effective mass, and band degeneracy and convergence. The lattice thermal conductivity is discussed in relation to the crystal structure and bond strength, with emphasis on the importance of bond length. We provide an overview of how symmetry and bonding strength affect electron and phonon transport in solids, and how altering these properties may be used in strategies to improve thermoelectric performance.

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Language(s): eng - English
 Dates: 2016-04-252016-04-25
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000377921400004
DOI: 10.1002/anie.201508381
 Degree: -

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Title: Angewandte Chemie International Edition in English
  Other : Angewandte Chemie, International Edition in English
  Abbreviation : Angew. Chem. Int. Ed.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 55 (24) Sequence Number: - Start / End Page: 6826 - 6841 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833