Journal of Energy Storage
·
2025
·
IF 9.8
Yixuan Wen,Qingsheng Li,Yuxiang Yang,Wei Zhou,Xingao Dong,Shuo Zhang,Liqiang Zhang,Tongde Shen,Peng Jia,Yuqing Qiao
Lithium hydroxide (LiOH) as a discharge product with high conductivity and low overpotential in lithium-oxygen batteries (Li O 2 batteries) has received extensive attention. However, the incomplete decomposition of LiOH during the charge process remains a critical issue hindering the practical application of high-performance Li O 2 batteries. Developing suitable cathode catalysts is essential to address this challenge. Here, we constructed an Ag-regulated MnO cathode catalyst with disordered structure to promote LiOH decomposition, thereby improving the electrochemical performance. The introduction of Ag breaks the long-range ordered structure of MnO. Compared to that of MnO, the d-band center of Ag/MnO shifts downward from the Fermi level. This weakens the strong adsorption strength between the cathode and oxygen-containing intermediates, resulting in more moderate adsorption energy of these intermediates on the cathode surface, which facilitates the complete decomposition of discharge product. Additionally, the active sites of the Ag/MnO cathode remained stable, with LiOH decomposed completely. This work provides new insights into the development of efficient LiOH-decomposing cathode catalysts for Li O 2 batteries.
研究领域:
电化学
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能源材料
·
催化
·
电池技术
✓ 已验证
产品关联
DOI
高影响因子
Journal of Materiomics
·
2025
·Vol. 11
·期 6
·101060
·
IF 9.6
Geng Cheng,Wenpei Li,Chengyan Liu,Jie Gao,Jun-Liang Chen,Jianhua Zhou,Xiaoyang Wang,Lei Miao
Two-dimensional (2D) materials such as metal chalcogenides have great potential as cathode catalyst materials for lithium oxygen batteries (LOBs) due to their large specific surface area and stable chemical properties. However, thus far, due to the lack of theoretical prediction methods, huge load on catalytic synthesis and performance evaluation is concerned. Herein, we reported a theoretical method for 2D metal chalcogenides as catalysts for LOBs using first principles density functional theory (DFT) calculations. We extracted key parameters that affect the overpotential, including Li–X bond energy (X represents chalcogen elements) and catalyst lattice constant, and theoretically predicted the catalytic performance. The DFT calculation results indicate that MoS 2 with appropriate Li–X bond energy and lattice constant has the lowest theoretical overpotential, and its cyclic stability should be higher than other materials under the same conditions. Significantly, we experimentally validated the theoretical predictions presented above. The experimental results shows that pure MoS 2 with 2H phase can stably work for more than 220 cycles at a current density of 500 mA/g, and the actual overpotential is lower than other metal chalcogenides. This work provides a swift pathway to accelerate searching high performance catalytic in LOBs.
研究领域:
材料科学
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电化学
·
纳米催化
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能源存储
·
理论计算化学
✓ 已验证
DOI
高影响因子
ACS Applied Energy Materials
·
2022
·
IF 6.959
Sisi Wu,Jing Yang,Ning Qin,Yingzhi Li,Haiou Wang,Yong-Wei Zhang,Qing Wang,Zhouguang Lu
LiO2 is a critical intermediate of oxygen reduction reaction in nonaqueous Li–O2 batteries that largely determines the discharge capacity and cycling stability. Currently, functional redox mediators that can promote the solution reaction route by enhancing the solvation of LiO2 have attracted tremendous interest to increase the attainable capacity. Conversely, redox mediators that quench LiO2 and facilitate the surface reaction route receive little attention. Here, we provide an in-depth exploration of the catalytic pathway and effect of a superoxide quencher that modulates the surface growth of Li2O2. Surprisingly, the predomination of the surface reaction route by ethyl viologen helps deliver a capacity as much as that promoted by the solution reaction route. The findings of this work provide a new direction of screening and evaluating functioning redox mediators for Li–O2 batteries.
研究领域:
材料科学
·
电化学
·
能源存储
✓ 已验证
DOI
高影响因子
Nature Communications
·
2025
·Vol. 16
·期 1
·1-14
·
IF 15.7
Wang Peng,Zhao Danyang,Zhang Peng,Hui Xiaobin,Zhang Zhiwei,Wang Rutao,Wang Chengxiang,Ge Xiaoli,Liu Xiaojing,Li Yuguang C.,Yin Longwei
The metallic phase MoS 2 (1T-MoS 2 ) supported metal-nanocatalyst is an appealing material system for accelerating the redox kinetics of non-aqueous Li | |O 2 batteries. However, the drawbacks associated with the surface orbital steric effect and the internal electron coupling results in a detrimental effect for the stability of 1T-MoS 2 , especially for the interface charge transfer. This makes it difficult to incorporate guest metal nanoparticles without compromising the 1 T phase support. To circumvent these issues, here we propose a p-block element (In-O) doping strategy to stabilize the 1 T phase MoS 2 by moderating the surface orbital steric effect and strengthening the internal chemical bonding, and thus for the epitaxial Ru nanocatalyst graft on the stabilized 1T-MoS 2 for Li | |O 2 batteries. The experimental and theoretical analyzes indicate that the In-O-MoS 2 @Ru enhances the O 2 dissociation and facilitates the adsorption of LiO 2 intermediates. This effect promotes the growth of weakly crystalline Li 2 O 2 films during oxygen reduction reaction, which can be more easily decomposed during the oxygen evolution reaction, thereby enhancing the bifunctional-catalytic kinetics. When employed at the positive electrode for non-aqueous Li | |O 2 batteries, In-O-MoS 2 @Ru shows an overpotential of 0.37 V and a cycling life of 284 cycles at 200 mA g −1 with a final discharge specific capacity of 1000 mAh g −1 at 25 °C.
研究领域:
材料科学
·
电化学
·
储能技术
·
纳米技术
·
催化
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）