Journal article
Mechanisms of the Planar Growth of Lithium Metal Enabled by the 2D Lattice Confinement from a Ti3C2Tx MXene Intermediate Layer
Advanced functional materials, v 31(24), pn/a
09 Jun 2021
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The propensity of Li to form irregular and nonplanar electrodeposits has become a fundamental barrier for fabricating Li metal batteries. Here, a planar, dendrite‐free Li metal growth on 2D Ti3C2Tx MXene is reported. Ab initio calculations suggest that Li forms a hexagonal close‐packed (hcp) layer on the surface of Ti3C2Tx via ionic bonding and the lattice confinement. The ionic bonding weakens gradually after a few monolayers, resulting in a nanometers‐thin transition region of hcp‐Li. Above this transition region, the deposition is dominated by plating of body‐centered cubic (bcc) Li via metallic bonding. Formation of a dense and planar Li metal anode with preferential growth along the (110) facet is explained by the lattice matching between Ti3C2Tx and hcp‐Li and then with bcc‐Li, as well as preferred thermodynamic factors including the large dendrite formation energy and small migration barrier for Li. The prepared Li metal anode shows stable cycling in a wide current density range from 0.5 to 10.0 mA cm–2. The LiFePO4‖Li full cell fabricated with this Li metal anode exhibits only 9.5% capacity fading after 500 charge–discharge cycles at 1 C rate.
The growth mechanism of Li on Ti3C2Tx is studied via experiments and ab initio calculations, which predict that Li+ initially formed hcp layers on the Ti3C2Tx surface followed by plating of bcc‐Li. Large formation energy and small migration barrier of Li+ result in planar Li deposition on Ti3C2Tx. Thus, the dense and planar Li metal electrode formed on Ti3C2Tx exhibit a stable charge‐discharge performance.
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Details
- Title
- Mechanisms of the Planar Growth of Lithium Metal Enabled by the 2D Lattice Confinement from a Ti3C2Tx MXene Intermediate Layer
- Creators
- Di Yang - Jilin UniversityChunyu Zhao - Jilin UniversityRuqian Lian - Jilin UniversityLin Yang - Jilin UniversityYizhan Wang - Jilin UniversityYu Gao - Jilin UniversityXu Xiao - University of Electronic Science and Technology of ChinaYury Gogotsi - Drexel UniversityXudong Wang - University of Wisconsin at MadisonGang Chen - Jilin UniversityYingjin Wei - Jilin University
- Publication Details
- Advanced functional materials, v 31(24), pn/a
- Publisher
- Wiley
- Number of pages
- 10
- Grant note
- National Natural Science Foundation of China (51972140; 21773091) Independent Industrial Innovation Funding of Jilin Province (2018C008) Science and Technology Department of Jilin Province (20180414004GH; 20200201069JC)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000637876200001
- Scopus ID
- 2-s2.0-85104032423
- Other Identifier
- 991015238289804721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Multidisciplinary
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Applied
- Physics, Condensed Matter