Lithium Storage Mechanisms and Electrochemical Behavior of a Molybdenum Disulfide Nanoparticle Anode
This study investigates the electrochemical behavior of molybdenum disulfide (MoS 2 ) as an anode in Li‐ion batteries, focusing on the extra capacity phenomenon. Employing advanced characterization methods such as in situ and ex situ X‐ray diffraction, Raman spectroscopy, X‐ray photoelectron spectroscopy, and transmission electron microscopy, the research unravels the complex structural and chemical evolution of MoS 2 throughout its cycling. A key discovery is the identification of a unique Li intercalation mechanism in MoS 2 , leading to the formation of reversible Li x MoS 2 phases that contribute to the extra capacity of the MoS 2 electrode. Density function theory calculations suggest the potential for overlithiation in MoS 2 , predicting Li 5 MoS 2 as the most energetically favorable phase within the lithiation–delithiation process. Additionally, the formation of a Li‐rich phase on the surface of Li 4 MoS 2 is considered energetically advantageous. After the first discharge, the battery system engages in two main reactions. One involves operation as a Li‐sulfur battery within the carbonate electrolyte, and the other is the reversible intercalation and deintercalation of Li in Li x MoS 2 . The latter reaction contributes to the extra capacity of the battery. The incorporation of reduced graphene oxide as a conductive additive in MoS 2 electrodes notably improves their rate capability and cycling stability.
Authors
- Zhenzhen Yang (ORCID: https://orcid.org/0000-0002-0233-4747)
- C. Julien (ORCID: https://orcid.org/0000-0003-4357-3186)
- Kai-Ping Chang (ORCID: https://orcid.org/0000-0002-9547-8327)
- Ahmed M. Hashem (ORCID: https://orcid.org/0000-0002-5289-7361)
- Wei Hao (ORCID: https://orcid.org/0000-0002-8194-1819)
- Dewen Hou (ORCID: https://orcid.org/0009-0006-8779-6559)
- Likun Zhu (ORCID: https://orcid.org/0000-0002-6324-3718)
- Saichao Cao
- Dimitrios G. Trikkaliotis
- Yuzi Liu (ORCID: https://orcid.org/0000-0002-8733-1683)
- Xinwei Zhou (ORCID: https://orcid.org/0000-0002-9985-0894)
- Charles Buddie Mullins (ORCID: https://orcid.org/0000-0003-1030-4801)
- George Z. Kyzas (ORCID: https://orcid.org/0000-0003-1516-3761)
- Shengfeng Yang (ORCID: https://orcid.org/0000-0002-8855-5558)
- Gyeong Soon Hwang (ORCID: https://orcid.org/0000-0002-5538-9426)
- Xintong Li (ORCID: https://orcid.org/0000-0002-6918-3920)
- Hua Wang (ORCID: https://orcid.org/0000-0003-4724-5104)
- Tianyi Li (ORCID: https://orcid.org/0000-0002-6234-6096)
Institutions
- Argonne National Laboratory (US)
- Centre National de la Recherche Scientifique (FR)
- University of Indianapolis (US)
- Democritus University of Thrace (GR)
- Shanghai Jiao Tong University (CN)
- Chinese Academy of Sciences (CN)
- Purdue University West Lafayette (US)
- Sorbonne Université (FR)
- Shanghai Advanced Research Institute (CN)
- National Research Centre (EG)
- Institut de minéralogie, de physique des matériaux et de cosmochimie (FR)
- Indiana University – Purdue University Indianapolis (US)
- The University of Texas at Austin (US)
Publication Details
- Journal
- Energy & environment materials
- Published
- 2024-12-07
- DOI
- https://doi.org/10.1002/eem2.12855
- Citations
- 8
- Primary Topic
- Advancements in Battery Materials
- Type
- article
- Field-Weighted Citation Impact
- 1.67
Funders
- U.S. Department of Energy
- United States Agency for International Development
- National Academy of Sciences of Armenia
- Science and Technology Development Fund
- Office of Science
- Basic Energy Sciences
- Vehicle Technologies Office
- Argonne National Laboratory