Reversible electrochemical lithium cycling in a vanadium(IV)- andnNiobium(V)-based Wadsley–Roth phase

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dc.contributor.authorLawrence, EAen_AU
dc.contributor.authorDavenport, MAen_AU
dc.contributor.authorDevi, Ren_AU
dc.contributor.authorCai, Zen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorBelnap, JRen_AU
dc.contributor.authorLiu, Jen_AU
dc.contributor.authorAlnaser, Hen_AU
dc.contributor.authorHo, Aen_AU
dc.contributor.authorSparks, TDen_AU
dc.contributor.authorGautam, GSen_AU
dc.contributor.authorAllred, JMen_AU
dc.contributor.authorJi, HWen_AU
dc.date.accessioned2024-02-29T00:11:16Zen_AU
dc.date.available2024-02-29T00:11:16Zen_AU
dc.date.issued2023-05-09en_AU
dc.date.statistics2024-02-29en_AU
dc.descriptionThis work was supported by the NSF Career Award (DMR-2145832). NPDF experiments used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. E.L., J.B., and H.J. also acknowledge the startup support from the University of Utah. The participation of H.A. and T.D.S. was supported by the NSF QII-TAQS grant number 1936383 and was partially funded by the Kuwait Foundation for the Advancement of Sciences (KFAS) under project code “CB20-68EO-01”. The participation of A.H. was supported by the NSF ReUSE REU site at the University of Utah under NSF Award 1950589. The single-crystal synthesis, structural solution, and the contributions of M.A.D. and J.M.A. were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, EPSCoR, and Neutron Scattering Sciences under award DE-SC0018174. They also thank NSF CHE MRI 1828078 and the University of Alabama for the purchase of the single-crystal X-ray diffraction instrument used in this study. This work made use of the University of Utah shared facilities of the Micron Technology Foundation Inc. Microscopy Suite sponsored by the College of Engineering, Health Sciences Center, Office of the Vice President for Research, and the Utah Science Technology and Research (USTAR) initiative of the State of Utah.en_AU
dc.description.abstractFast charging remains one of the greatest safety challenges in Li-ion batteries due to Li-dendrite growth occurring on graphite anodes if they are lithiated too quickly. The search for high-rate anodes has highlighted materials in the Wadsley-Roth (WR) shear phase family. The relative abundance of V compared with traditional WR compositions of Nb and W makes V-based phases attractive. However, the high voltage and poor reversibility typically associated with V redox have made V-rich WR phases less studied than Nb- and W-rich phases. Here, we show that a new V-rich Wadsley-Roth phase, V7Nb6O29, achieves excellent rate capability and 80% capacity retention after 228 cycles with a relatively low average voltage of 1.76 V vs Li/Li+ compared with other V-rich WR phases. Single-crystal X-ray diffraction reveals a P4/m space group with repeating 2 × 2 × ∞ and 3 × 3 × ∞ blocks of V4+ and Nb5+ octahedra. Combined neutron pair distribution function analysis, X-ray absorption spectroscopy, and density functional theory calculations show that V redox is the primary source of capacity and that cycling stability is provided by the stable octahedral coordination adopted by V4+ in the material. © American Chemical Societyen_AU
dc.identifier.citationLawrence, E. A., Davenport, M. A., Devi, R., Cai, Z., Avdeev, M., Belnap, J. R., Liu, J., Alnaser, H., Ho, A., Sparks, T. D., Sai Gautam, G., Allred, J. M., & Ji, H. (2023). Reversible electrochemical lithium cycling in a vanadium(IV)- andnNiobium(V)-based Wadsley–Roth phase. Chemistry of Materials, 35(9), 3470-3483. doi:10.1021/acs.chemmater.2c03465en_AU
dc.identifier.issn0897-4756en_AU
dc.identifier.issn1520-5002en_AU
dc.identifier.issue9en_AU
dc.identifier.journaltitleChemistry of Materialsen_AU
dc.identifier.pagination3470-3483en_AU
dc.identifier.urihttp://dx.doi.org/10.1021/acs.chemmater.2c03465en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15483en_AU
dc.identifier.volume35en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Society (ACS)en_AU
dc.subjectBattery chargingen_AU
dc.subjectLithium ion batteriesen_AU
dc.subjectRedox processen_AU
dc.subjectElectric-powered vehiclesen_AU
dc.subjectSpectroscopyen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectCalculation methodsen_AU
dc.titleReversible electrochemical lithium cycling in a vanadium(IV)- andnNiobium(V)-based Wadsley–Roth phaseen_AU
dc.typeJournal Articleen_AU
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