Transition Metal Dichalcogenides for EV Batteries
Transition metal dichalcogenides (TMDs) have emerged as critical materials for next-generation battery electrodes, offering theoretical capacities exceeding 600 mAh/g. Recent laboratory tests demonstrate that structured TMD foams can accommodate volume changes during cycling while maintaining electrical conductivity, and when combined with graphene interfaces, they enable charging rates up to 10 times faster than traditional graphite anodes.
The fundamental challenge lies in optimizing TMD structures and interfaces to maximize both ion transport and structural stability during repeated charge-discharge cycles.
This page brings together solutions from recent research—including hierarchical TMD foam architectures, metallic-phase TMD cathode substrates, graphene-TMD heterostructures, and high-mass-loading electrode designs. These and other approaches focus on practical pathways to incorporate TMDs into commercial battery systems while maintaining their promising performance characteristics.
1. Synthesis and electrochemical properties of MoS 2 /NC composite as a novel anode for lithium battery
zenghui han, zhao ma, chuanqi feng - Research Square, 2025
<title>Abstract</title> The MoS2/NC composite is synthesized successfully by electrospinning combined with calcination. expected compounds are characterized X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM) and transmission microscope (TEM) techniques. MoS2 carbon doped nitrogen (NC) principal component in the (MoS2/NC). took on morphology of nanofibers exhibited outstanding electrochemical performances as novel anode material. optimum synthesis conditions for were presented this work. When load current density was 0.1 A g-1, capacity can maintain high 827 mAhg-1 after 200 cycles. increased to 1 g 1, its 554 mAhg1 500 typical composition not only owned reversible but also good rate performance, Therefore, it promising material lithium ion battery application.
2. Interlayer spacing control of MoS2 with covalent thiol functionalization: Understanding structure and electrochemistry from experiments and simulation
jaehoon choi, kyeonghyeon nam, yoga trianzar malik, 2025
Molybdenum disulfide (MoS2) is an increasingly investigated two-dimensional electrode material for electrochemical energy storage and conversion. Strategies to increase its interlayer spacing are emerging have been shown improve ion intercalation capacity kinetics. This work explores covalent thiol functionalization controlling MoS2 spacing. Using a hydrothermal bottom-up synthesis, dithiolated molecules can be directly incorporated into the lattice act as pillars. comprehensive combination of experiments simulation, we investigate influence dithiol pillar loading on structure, pillar-host interaction electrochemistry. Our results reveal clustering pillars at low loading, leading inhomogeneous expansion. At high formation defective bonding configurations with excess sulfur observed. Interlayer expansion leads increased Li+ maximum 1.43 per MoS2. However, dithiols occupy sites impede transport within space, unfavorable performance loading. underlines importance carefully adjusting density nanoconfined space. Overall, comprehensively analyzes transition metal dichalcogenide-based mater... Read More
3. Unveiling the Capacity Boosting Mechanism of the MoS<sub>2</sub> Electrode by Focusing on the Under Potential Deposition in All‐Solid‐State Batteries Prepared by One‐Pot One‐Step Liquid Phase Mixing
kazuto fujiwara, keitaro imai, chie hotehama - Wiley, 2025
Abstract Molybdenum disulfide (MoS 2 ) is a high theoretical capacity (670 mAh g 1 electrode material. However, several researchers report that rechargeable batteries using MoS often exhibit discharge of 1000 exceeds the capacity. Although various speculations are proposed, only limited number reports have provided practical evidence. One reason cleaning process electrolyte essential for spectroscopically analyzing electrodes used battery with liquid electrolyte. On other hand, allsolidstate make it possible to analyze without washing processes. In this study, dispersion in solidstate successfully fabricated by onepot onestep liquidphase mixing methods, which realize exfoliating , synthesizing solid electrolytes, and compositing conductive agents single step. Furthermore, extra investigated exceed Xray photoelectron spectroscopy analysis treatment. The underpotentially deposited lithium metal observed onto metallic molybdenum generated conversion reaction during discharging clarified play an important role exceeding electrode.
4. Advances in layered transition metal dichalcogenide materials for supercapacitors and lithium–ion batteries
yared s worku, tekalign a tikish, nithyadharseni palaniyandy - World Scientific, 2025
Layered transition metal dichalcogenides (LTMDs) are considered promising materials for supercapacitors (SCs) and lithiumion batteries (LIBs) because of their unique layered architecture, which offers an enormous surface area fast ion movement, makes them potential candidates high-performance electrodes in these devices. Nevertheless, inherent challenges exist, including poor electrical conductivity, frequent large-volume expansions slow ionic diffusion rates, that restrict application advanced energy storage applications. Therefore, various methods have been applied to overcome the numerous innovative approaches employed fabricate high-quality electrode SCs LIBs. This brief review is focused on difficulties encountered by LIBs explores how 2D TMDs can be able enhance efficiency. also highlighted crystal structures synthesis used develop LTMD Furthermore, applications TMD-based nanomaterials storage, specifically LIBs, described. Finally, current future research directions this field proposed.
5. Comparative Investigation on Two‐Dimensional <scp>Ti<sub>2</sub>CY<sub>2</sub></scp> (Y = O, S) <scp>MXene</scp>/Graphene Van der Waals Heterostructure as Potential Anode Material for Lithium‐Ion Batteries: A First‐Principles Calculation
lakshay girdhar, paramita haldar - Wiley, 2025
ABSTRACT With the increasing demand for highperformance energy storage devices, alternative anode materials with high density and operational voltage is becoming urgent. Twodimensional van der Waals (vdW) heterostructures gained popularity due to their large surface area adjustable interlayer spacing. In this work, we have employed firstprinciples calculations compare structural, electronic, adsorption, electrochemical properties of O S functionalized Ti 2 CY /graphene (Y = O, S) vdW heterostructures. The optimized heterostructure formed by MXene graphene layers are separated 3.04 3.40 , respectively, giving binding per atom as 0.019 0.018 eV. It found that intercalation lithium (Li) atoms in between /Graphene thermodynamically more favorable comparison on top or below Bader charge transfer analysis confirms gain less 0.13 e during Li compared 0.47 larger size 3p orbital atoms. Each contributes ~0.880.89 process. diffusion barrier lower CS (0.27, 0.22, 0.12, 0.18 eV) than CO (0.45, 0.40, 0.34, 0.28 when + nLi, n 1, 2, 3, 17, respectively. CINEB study also... Read More
6. Metastable ζ-V2O5 Nanowires with Enhanced Magnesium Ion Intercalation Capacity
THE TEXAS A&M UNIVERSITY SYSTEM, 2025
Metastable vanadium dioxide (V2O5) nanowires that can reversibly insert and extract high concentrations of magnesium (Mg) ions. The nanowires have a specific metastable phase, denoted ζ-V2O5, that allows for insertion of up to 0.33 Mg ions per V2O5 unit. This is much higher than the capacities observed for Mg insertion in other V2O5 phases. The ζ-V2O5 phase is stabilized by selectively leaching out cations from a precursor bronze phase. The high Mg intercalation capacity is attributed to the expanded interlayer spacing and structural features of the ζ-V2O5 phase that facilitate Mg diffusion.
7. Redox Flow Battery with High-Voltage Bipolar Redox Molecules and Non-Conjugating Insulating Linker
EXXONMOBIL TECHNOLOGY AND ENGINEERING CO, 2025
Redox flow battery with high-voltage bipolar redox molecules for energy storage, achieving voltages greater than 3.5 V through a novel bipolar design that combines an anolyte and catholyte separated by a non-conjugating insulating linker. The system enables efficient energy conversion through reversible redox reactions between the two half-cells, with the catholyte containing a para-dimethoxybenzene-based bipolar molecule and the anolyte containing a stilbene-based molecule, both separated by a two-CX2 linker. The system can be integrated into a single tank configuration with separate catholyte and anolyte tanks, and features an external load isolation system to prevent unintended electrical connections during charging.
8. Ultralong 2H‐MoS<sub>2</sub> Nanowires from Topological Mo<sub>2</sub>S<sub>3</sub> Phase Transformation toward Exceptional Sodium‐Ion Storage
yiyang wang, y fang, ying chen - Wiley, 2025
1D transition metal dichalcogenide (TMD) nanowires (NWs) have attracted attention to act as energy storage and information technology materials, but the TMD NWs are unable directly synthesized rather than hexagonal flakes due habit of in-planar isotropic crystal growth. Herein, topological phase transformation is proposed synthesize ultralong high-quality 2H-MoS2 from a surface-to-interior sulfurization isomorphic Mo2S3 NWs. endows structure with [MoS] chains inserted into structure. The harvested MoS2 average in length >150 m diameter 400 nm, electrical conductivity 150 S m-1 much higher reported (10-2 m-1). As sodium-ion battery (SIB) anode, exhibit high capacity 705 mAh g-1 at 0.2 A g-1. retention 85.6% achieved after 9500 cycles 5 g-1, superior any TMD-based SIB anodes. Further in-situ characterizations reveal favorable reversible redox chemistry for NWs, excellent cycling stability stems homogeneous surface stress release during sodiation/desodiation. This work provides an effective strategy preparing electrochemical performance.
9. Rechargeable Battery with Aluminum Anode, Transition Metal Cathode, and Aluminum-Containing Electrolyte
EQONIC GROUP LTD, 2024
A rechargeable battery that uses aluminum as the anode instead of lithium, along with specific cathode materials and an aluminum-containing electrolyte. The aluminum anode provides higher charge/discharge rates, longer lifespan, and improved safety compared to lithium-ion batteries. The cathode materials are transition metal dichalcogenides (MX2) or oxides (MOz) that intercalate anions. The electrolyte contains aluminum ions that reversibly deposit/dissolve at the aluminum anode and intercalate/deintercalate at the cathode. The aluminum electrolyte avoids the issues of liquid electrolytes like flammability and leakage.
10. Hierarchical Transition Metal Dichalcogenide Foam Anodes with Nanometer-Sized Channels and Interconnected Cell Structure
KING ABDULLAH UNIV OF SCIENCE AND TECHNOLOGY, KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY, SAUDI ARABIAN OIL CO, 2024
Structured transition metal dichalcogenide foams for high-performance battery anodes that can withstand excessive volume expansion during cycling. The foams have a hierarchical 3D structure with channels and interconnected cells made of TMD layers. The channels have nanometer-sized internal diameters. The foam anodes provide high capacity, high yield, and dynamic recovery. The foams are made by chemically exfoliating TMD, jetting it onto a substrate, dewetting to form layers, and applying voltage to spray particles between layers.
11. Graphene-Coated Molybdenum Disulfide Composite Anode for Lithium-Ion Batteries
KOREA INSTITUTE OF ENERGY RES, KOREA INSTITUTE OF ENERGY RESEARCH, 2023
High-performance hybrid composite for lithium-ion batteries that has improved capacity and charging speed compared to traditional graphite anodes. The composite is made by coating graphene onto a layer of molybdenum disulfide (MoS2) to create a heterostructure. This composite anode has higher capacity and faster charging than pure graphite anodes due to the intercalation reaction between the MoS2 and lithium ions. The MoS2 layer enhances lithium ion intercalation into the graphite. The composite can be manufactured at scale using simple methods without requiring high pressures or temperatures.
12. All-Solid-State Lithium-Sulfur Battery with Transition Metal Chalcogenide and Graphene-Enhanced Cathode
INST PHYSICS CAS, INSTITUTE OF PHYSICS CHINESE ACADEMY OF SCIENCES, 2020
High-energy density all-solid-state lithium-sulfur batteries with high sulfur loading and improved performance by using a transition metal chalcogenide cathode material with both ionic and electronic conductivity. The cathode material is composed of embedded lithium storage transition metal chalcogenide compounds like Mo6S8, sulfur, and graphene/carbon nanotubes. The chalcogenide provides ionic and electronic conductivity, reducing the need for electrolyte and conductive additives in the cathode. This allows higher sulfur loading and improves energy density compared to conventional cathode materials.
13. Protective Anode Formed via Electrochemical Cycling in Carbon Dioxide-Infused Electrolyte with Transition Metal Dichalcogenide Cathode
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, 2019
Protective anode for metal-based batteries like lithium-air, lithium-sulfur, and metal-ion batteries that can significantly improve cycle life without compromising performance. The protective anode is made by discharging and charging a cathode with transition metal dichalcogenide (TMDC) and an anode with a metal, such as lithium, in an electrolyte with carbon dioxide dissolved. The cycling forms a protective layer on the anode containing Li2CO3. The protective anode can be removed and used in a regular battery with the TMDC cathode and electrolyte, providing improved cycle life compared to regular lithium anodes.
14. Few-Layer Transition Metal Dichalcogenide Anode Materials for Lithium-Ion Batteries
TOYOTA JIDOSHA KABUSHIKI KAISHA, 2017
Anode materials for lithium-ion batteries with high capacity and low electrode potential for improved safety and performance. The anode materials are transition metal dichalcogenides like TiS2 in a few-layer configuration. Few-layer TiS2 has a lower lithiation potential compared to bulk TiS2, making it usable as an anode material in lithium-ion cells. The few-layer structure enables higher capacity and lower potential compared to bulk TiS2, which is limited to cathode use due to high lithiation potential.
15. Nanocrystalline Metal Dichalcogenides with Expanded Atomic Spacing and Defected Structure for Enhanced Pseudocapacitive Charge Storage
UNITED STATES DEPARTMENT OF ENERGY, 2017
Highly defected nanocrystalline metal dichalcogenides like MoS2 with expanded atomic spacing for pseudocapacitive energy storage. The defected structure provides access to interlayer crystals and facilitates pseudocapacitive charge storage. The nanocrystal electrodes have high power density due to synergy between the nanostructure and composite electrode architecture. The defected nanocrystals can reversibly store high capacities in seconds, cycle thousands of times, and operate at high voltages without crystal destruction.
16. Lithium Secondary Battery with Transition Metal Chalcogen Negative Electrode and Anion-Absorbing Carbon Positive Electrode
YUASA BATTERY CO LTD, YUASA CORP, 2003
A lithium secondary battery with improved discharge capacity, output density, storage stability, and cycle life compared to conventional lithium batteries. The key feature is using a transition metal chalcogen compound as the negative electrode material instead of graphite. These compounds can absorb and release lithium ions like graphite, but at higher potentials. This prevents lithium plating on the negative electrode during charging. The positive electrode uses a carbon material that can absorb and release anions, balancing the charge transfer. This reduces concentration gradients of electrolyte salt during charging and discharging, improving cycle life and storage stability.
17. Layered Chalcogenide Electrode with Transition Metal Substitution for Enhanced Ion Intercalation Reversibility
BELL TELEPHONE LABOR INC, BELL TELEPHONE LABORATORIES INC, 1978
Improving the reversibility and cycling performance of nonaqueous cells using layered chalcogenide positive electrode materials like LiVS2 or LiCrS2 by substituting some of the transition metal atoms in the chalcogenide with other metals like Mn, Fe, Ni, or Co. This allows easier and more complete intercalation of lithium or sodium ions during charging and discharging compared to pure vanadium or chromium chalcogenides. The substituted chalcogenides have weaker and broader intermediate phases as the lithium concentration varies, making the intercalation process more reversible.
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