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Thinking Like a Chemist: Intuition in Thermoelectric Materials
Author(s) -
Zeier Wolfgang G.,
Zevalkink Alex,
Gibbs Zachary M.,
Hautier Geoffroy,
Kanatzidis Mercouri G.,
Snyder G. Jeffrey
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201508381
Subject(s) - thermoelectric effect , chemical bond , thermoelectric materials , electronegativity , condensed matter physics , band gap , bond strength , materials science , chemical physics , effective mass (spring–mass system) , chemistry , thermodynamics , nanotechnology , physics , quantum mechanics , adhesive , layer (electronics)
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.