Transition Metal Migration Can Facilitate Ionic Diffusion in Defect Garnet-Based Intercalation Electrodes

Nicholas H. Bashian; Samantha Abdel-Latif; Mateusz Zuba; Kent J. Griffith; Alex M. Ganose; Joseph W. Stiles; Shiliang Zhou; David O. Scanlon; Louis F. J. Piper; Brent C. Melot

doi:10.1021/acsenergylett.0c00376

journal article·2020-05-08Open access

Transition Metal Migration Can Facilitate Ionic Diffusion in Defect Garnet-Based Intercalation Electrodes

Nicholas H. Bashian, Samantha Abdel-Latif, Mateusz Zuba, Kent J. Griffith, Alex M. Ganose, Joseph W. Stiles, Shiliang Zhou, David O. Scanlon, Louis F. J. Piper, Brent C. Melot

ACS Energy Letters· Volume 5· Issue 5

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Source abstract

Abstract

The importance of metal migration during multielectron redox activity has been characterized, revealing a competing demand to satisfy bonding requirements and local strains in structures upon alkali intercalation. The local structural evolution required to accommodate intercalation in Y2(MoO4)3 and Al2(MoO4)3 has been contrasted by operando characterization methods, including X-ray absorption spectroscopy and diffraction, along with nuclear magnetic resonance measurements. Computational modeling further rationalized behavioral differences. The local structure of Y2(MoO4)3 was maintained upon lithiation, while the structure of Al2(MoO4)3 underwent substantial local atomic rearrangements as the more ionic character of the bonds in Al2(MoO4)3 allowed Al to mix off its starting octahedral position to accommodate strain during cycling. However, this mixing was prevented in the more covalent Y2(MoO4)3, which accommodated strain through rotational motion of polyhedral subunits. Knowing that an increased ionic character can facilitate the diffusion of redox-inactive metals when cycling multielectron electrodes offers a powerful design principle when identifying next-generation intercalation hosts.

Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Semiconductor materials and devices · Transition Metal Oxide Nanomaterials · Electronic and Structural Properties of Oxides

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York 13902, United States

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom

Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE, United Kingdom

Thomas Young Centre, University College London, Gower Street, London WC1E 6BT, United Kingdom

The Faraday Institution, Quad One, Harwell Science and Innovation Campus, Didcot, United Kingdom

Materials Science & Engineering, Binghamton University, Binghamton, New York 13902, United States

Funding

Engineering and Physical Sciences Research Council · Research Corporation for Science Advancement · Winston Churchill Foundation of the United States · Division of Materials Research · Faraday Institute for Science and Religion

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