DataVXACS Materials LettersPaper
journal article·2019-07-01Open access

Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12

Haodong Liu, Zhuoying Zhu, Jason Huang, Xin He, Yan Chen, Rui Zhang, Ruoqian Lin, Yejing Li, Sicen Yu, Xing Xing, Qizhang Yan, Xiangguo Li, Matthew J. Frost, Ke An, Jun Feng, Robert Kostecki, Huolin Xin, Shyue Ping Ong, Ping Liu

ACS Materials Letters· Volume 1· Issue 1
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Source abstract

Abstract

In this work, we show that the well-known lithium-ion anode material, Li4Ti5O12, exhibits exceptionally high initial capacity of 310 mAh g–1 when it is discharged to 0.01 V. It maintains a reversible capacity of 230 mAh g–1, far exceeding the “theoretical” capacity of 175 mAh g–1 when this anode is lithiated to the composition Li7Ti5O12. Neutron diffraction analyses identify that additional Li reversibly enters into the Li7Ti5O12 to form Li8Ti5O12. density functional theory (DFT) calculations reveal the average potentials of the Li4Ti5O12 to Li7Ti5O12 step and the Li7Ti5O12 to Li8Ti5O12 step are 1.57 and 0.19 V, respectively, which are in excellent agreement with experimental results. Transmission electron microscopy (TEM) studies confirm that the irreversible capacity of Li4Ti5O12 during its first cycle originates from the formation of a solid electrolyte interface (SEI) layer. This work clarifies the fundamental lithiation mechanism of the Li4Ti5O12, when lithiated to 0.01 V vs Li.
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Research context

Energy storage

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Ferroelectric and Piezoelectric Materials

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

Affiliations

Department of Nanoengineering, University of California, San Diego, California 92093, United States

Energy Storage and Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States

Department of Physics and Astronomy, University of California, Irvine, California 92697, United States

Chemistry Division, Brookhaven National Laboratory, Upton, New York 11973, United States

Sustainable Power and Energy Center, University of California San Diego, La Jolla, California 92093, United States

Funding

Office of Energy Efficiency and Renewable Energy · U.S. Department of Energy

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