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Molecular Engineering to Construct MoS2 with Expanded Interlayer Spacing and Enriched 1T Phase for "Rocking-Chair"
Wenhao Wang1,2, Wenwei Zhang2, Ruohan Yu3
1Guangxi Key Laboratory of Optical and Electronic Materials and Devices, Collaborative Innovation Center for Exploration of Nonferrous Metal Deposits and Efficient Utilization of Resources, School of Materials Science and Engineering, Guilin University of Technology, Guilin 541004, China.
Molecular engineering enhances molybdenum disulfide (MoS2) for aqueous calcium-ion batteries (ACIBs), boosting capacity and rate performance. This strategy advances ACIB technology by overcoming challenges with calcium ion storage in transition metal dichalcogenides.
Area of Science:
- Materials Science
- Electrochemistry
- Energy Storage
Background:
- Transition metal dichalcogenides (TMDs) show promise for aqueous calcium-ion batteries (ACIBs) due to their voltage and capacity.
- Poor performance in ACIBs is linked to the large radius and charge of Ca2+ ions, necessitating effective regulation strategies.
- Molecular engineering offers a pathway to enhance TMD properties for improved ACIB applications.
Purpose of the Study:
- To develop an effective molecular engineering strategy for improving the performance of MoS2 as an anode material in ACIBs.
- To investigate the impact of expanded interlayer spacing and an enriched 1T phase on MoS2's electrochemical properties for calcium storage.
- To elucidate the calcium storage mechanism and capacity improvement factors in the engineered MoS2 material.
Main Methods:
- Construction of expanded interlayer spacing and enriched 1T phase MoS2 (ES-1T-MoS2) via molecular engineering.
- Electrochemical testing, including capacity, rate performance, and wide-temperature working capability assessments.
- Density functional theory (DFT) calculations and in situ/ex situ characterizations to understand the storage mechanism.
Main Results:
- Engineered ES-1T-MoS2 demonstrated a significant capacity increase from 29.4 to 91.2 mAh g-1.
- Improved rate performance was observed, with capacity rising from 20 to 76.1 mAh g-1 at 2.0 A g-1.
- The ES-1T-MoS2 anode exhibited a wide working temperature range (-20 to 50 °C) and a pouch cell achieved 150 cycles with >90.8% capacity retention.
Conclusions:
- Molecular engineering is a viable strategy to enhance the calcium storage performance of TMDs, specifically MoS2, for ACIBs.
- The developed ES-1T-MoS2 material shows potential as an efficient anode for practical ACIB applications.
- This research contributes to the advancement of high-performance aqueous calcium-ion battery technology.
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