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      Expanding frontiers in materials chemistry and physics with multiple anions

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          Abstract

          During the last century, inorganic oxide compounds laid foundations for materials synthesis, characterization, and technology translation by adding new functions into devices previously dominated by main-group element semiconductor compounds. Today, compounds with multiple anions beyond the single-oxide ion, such as oxyhalides and oxyhydrides, offer a new materials platform from which superior functionality may arise. Here we review the recent progress, status, and future prospects and challenges facing the development and deployment of mixed-anion compounds, focusing mainly on oxide-derived materials. We devote attention to the crucial roles that multiple anions play during synthesis, characterization, and in the physical properties of these materials. We discuss the opportunities enabled by recent advances in synthetic approaches for design of both local and overall structure, state-of-the-art characterization techniques to distinguish unique structural and chemical states, and chemical/physical properties emerging from the synergy of multiple anions for catalysis, energy conversion, and electronic materials.

          Abstract

          Inorganic compounds with multiple anions have added a new dimension to the discovery of materials. Here the authors review the recent progress in the development of mixed-anion compounds, focusing on the roles of multiple anions in synthesis, characterization and properties.

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          Iron-based layered superconductor La[O(1-x)F(x)]FeAs (x = 0.05-0.12) with T(c) = 26 K.

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            Convergence of electronic bands for high performance bulk thermoelectrics.

            Thermoelectric generators, which directly convert heat into electricity, have long been relegated to use in space-based or other niche applications, but are now being actively considered for a variety of practical waste heat recovery systems-such as the conversion of car exhaust heat into electricity. Although these devices can be very reliable and compact, the thermoelectric materials themselves are relatively inefficient: to facilitate widespread application, it will be desirable to identify or develop materials that have an intensive thermoelectric materials figure of merit, zT, above 1.5 (ref. 1). Many different concepts have been used in the search for new materials with high thermoelectric efficiency, such as the use of nanostructuring to reduce phonon thermal conductivity, which has led to the investigation of a variety of complex material systems. In this vein, it is well known that a high valley degeneracy (typically ≤6 for known thermoelectrics) in the electronic bands is conducive to high zT, and this in turn has stimulated attempts to engineer such degeneracy by adopting low-dimensional nanostructures. Here we demonstrate that it is possible to direct the convergence of many valleys in a bulk material by tuning the doping and composition. By this route, we achieve a convergence of at least 12 valleys in doped PbTe(1-x)Se(x) alloys, leading to an extraordinary zT value of 1.8 at about 850 kelvin. Band engineering to converge the valence (or conduction) bands to achieve high valley degeneracy should be a general strategy in the search for and improvement of bulk thermoelectric materials, because it simultaneously leads to a high Seebeck coefficient and high electrical conductivity. ©2011 Macmillan Publishers Limited. All rights reserved
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              First-principles calculations for point defects in solids

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                Author and article information

                Contributors
                kage@scl.kyoto-u.ac.jp
                Journal
                Nat Commun
                Nat Commun
                Nature Communications
                Nature Publishing Group UK (London )
                2041-1723
                22 February 2018
                22 February 2018
                2018
                : 9
                : 772
                Affiliations
                [1 ]ISNI 0000 0004 0372 2033, GRID grid.258799.8, Graduate School of Engineering, , Kyoto University, ; Nishikyo-ku, Kyoto 615-8581 Japan
                [2 ]ISNI 0000 0001 2242 4849, GRID grid.177174.3, Department of Applied Chemistry, , Kyushu University, ; Fukuoka, 819-0395 Japan
                [3 ]ISNI 0000 0001 2179 2105, GRID grid.32197.3e, Department of Chemistry, School of Science, , Tokyo Institute of Technology, ; 2-12-1-NE-2 Ookayama, Meguro-ku, Tokyo 152-8550 Japan
                [4 ]ISNI 0000 0004 1936 7988, GRID grid.4305.2, Centre for Science at Extreme Conditions, , University of Edinburgh, ; EH9 3FD Edinburgh, UK
                [5 ]ISNI 0000 0001 2151 536X, GRID grid.26999.3d, Institute for Solid State Physics, , University of Tokyo, ; Kashiwanoha 5-1-5, Kashiwa, Chiba 277-8581 Japan
                [6 ]ISNI 0000 0001 2299 3507, GRID grid.16753.36, Department of Materials Science and Engineering, , Northwestern University, ; Evanston, IL 60208 USA
                [7 ]ISNI 0000 0001 2299 3507, GRID grid.16753.36, Department of Chemistry, , Northwestern University, ; Evanston, IL 60208 USA
                Author information
                http://orcid.org/0000-0002-3911-9864
                http://orcid.org/0000-0002-4413-6511
                http://orcid.org/0000-0001-7245-8318
                http://orcid.org/0000-0001-9763-3987
                http://orcid.org/0000-0003-1190-2344
                http://orcid.org/0000-0003-0508-2175
                http://orcid.org/0000-0003-1655-9127
                Article
                2838
                10.1038/s41467-018-02838-4
                5823932
                29472526
                255b8c63-af66-46cd-a4e0-a64eb598fa0a
                © The Author(s) 2018

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

                History
                : 30 October 2017
                : 2 January 2018
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