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Thermodynamically Revealing the Essence of Order and Disorder Structures in layered cathode materials

Chinese Journal of Structural Chemistry 2019年第12期38卷 2020-2026页

作者： ZHENG Ze WENG Mou-Yi YANG Lu-Yi HU Zong-Xiang CHEN Zhe-Feng PAN Feng School of Advanced materials Shenzhen Graduate SchoolPeking University

layered transition metal(TM) oxides are one of the most widely used cathode materials in lithium-ion batteries. The atomic configuration in TM layer of these materials is often known to be random when multiple TM elements co-exist in the layer(e.g. Ni, Co and Mn). By contrast, the configuration tends to be ordered if the elements are Li and Mn. Here, by using special quasi-random structures(SQS) algorithm, the essential reasons of the ordering in a promising Li-rich Mn-based cathode material Li2MnO3 are investigated. The difference of internal energy and entropy between ordered and disordered materials is calculated. As a result, based on the Gibbs free energy, it is found that Li2MnO3 should have an ordered structure in TM layer. In comparison, structures with Ni-Mn ratio of 2:1 are predicted to have a disordered TM layer, because the entropy terms have larger impact on the structural ordering than internal energy terms.

关键词： entropy special quasi-random structures(SQS) layered cathode materials Gibbs free energy

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Application of high energy X-ray diffraction and Rietveld refinement in layered lithium transition metal oxide cathode materials

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Nano Research 2023年第7期16卷 9954-9967页

作者： Zhuo Yang Yong Lu Xiaomeng Liu Fujun Li Jun Chen Renewable Energy Conversion and Storage Center(RECAST) Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)College of ChemistryNankai UniversityTianjin 300071China

layered lithium transition metal oxide(LTMO)cathode materials have attracted much attention for lithium-ion batteries and are shining in the current *** a clear structure-performance relationship is necessary for the performance improvement of LTMO cathode *** combination of synchrotron X-ray diffraction(XRD)with high intensity and XRD Rietveld refinement is powerful for revealing the structural characteristics of LTMO cathode *** review summarizes the application of high energy XRD and Rietveld refinement in LTMO cathode materials,including the brief introduction of synchrotron XRD and Rietveld refinement and their applications in understanding the structural evolution related to the synthetic,thermal runaway,cycling,and high-rate charge/discharge process of LTMO cathode *** XRD can provide insights into the intermediates and reaction paths in the synthesis process,the origin of thermal runaway,the mechanism of structural decay during cycles,and the structural evolution during high-rate charging/*** works should focus on the development of higher intensity X-rays to gain more in-depth insights into the intrinsic relationship between their structural characteristics and properties.

关键词： synchrotron X-ray diffraction Rietveld refinement layered cathode materials transition metal oxide lithium-ion batteries

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Recent Progress and Regulation Strategies of layered materials as cathode of Aqueous Zinc-Ion Batteries

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Energy & Environmental materials 2024年第3期7卷 14-31页

作者： Yuan Yuan Si Wu Xiaoxue Song Jin Yong Lee Baotao Kang School of Chemistry and Chemical Engineering University of JinanJinan 250022China Department of Chemistry Sungkyunkwan UniversitySuwon 16419Korea Shandong Hi-Speed Engineering Test Co. Ltd.Jinan 250022China

Aqueous zinc-ion batteries(ZIBs)have shown great potential in the fields of wearable devices,consumer electronics,and electric vehicles due to their high level of safety,low cost,and multiple electron *** layered cathode materials of ZIBs hold a stable structure during charge and discharge reactions owing to the ultrafast and straightforward(de)intercalation-type storage mechanism of Zn^(2+)ions in their tunable interlayer spacing and their abilities to accommodate other guest ions or ***,the challenges of inadequate energy density,dissolution of active materials,uncontrollable byproducts,increased internal pressure,and a large de-solvation penalty have been deemed an obstacle to the development of *** this review,recent strategies on the structure regulation of layered materials for aqueous zinc-ion energy storage devices are systematically ***,critical science challenges and future outlooks are proposed to guide and promote the development of advanced cathode materials for ZIBs.

关键词： layered cathode materials modifying strategies structure regulation zinc-ion batteries

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Synthesis of Cu-Doped layered Transition Metal Oxide cathode materials Directly from Metal-Organic Frameworks for Sodium-Ion Batteries

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Chinese Journal of Chemistry 2023年第20期41卷 2597-2603页

作者： Xiaoniu Hou Changfeng Li Mengjie Li Yuansheng Liu Wei Zhu Zhenfei Li Yunhua Xu School of materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education)and Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300072 China

Mn-based layered transition metal oxides are promising cathode materials for sodium-ion batteries(SIBs)because of their high theoretical capacities,abundant raw materials,and environment-friendly ***,they often show insufficient performance due to intrinsic issues including poor structural stability and dissolution of Mn^(3+).Atomic doping is an effective way to address these structural degradation ***,we reported a new synthesis strategy of a Cu-doped layered cathode by directly calcinating a pure metal-organic *** from the unique structure of MOF with atomic-level Cu doping,a homogeneous Cu-doped layered compound P2-Na_(0.674)Cu_(0.01)Mn_(0.99)O_(2) was *** Cu substitution promotes the crystal structural stability and suppresses the dissolution of Mn,thus preventing the structure degradation of the layered cathode materials.A remarkably enhanced cyclability is realized for the Cu-doped cathode compared with that without Cu doping,with 83.8%capacity retention after 300 cycles at 100 mA·g^(-1).Our findings provide new insights into the design of atomic-level doping layered cathode materials constructed by MOFs for high-performance SIBs.

关键词： Metal-organic frameworks Synthesis design/Sodium-ion batteries layered cathode materials Atomic doping

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Direct Synthesis of Al_2O_3-modified Li(Ni_(0.5)Co_(0.2)Mn_(0.3))O_2 cathode materials for Lithium Ion Batteries

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Journal of Wuhan University of Technology(materials Science) 2018年第1期33卷 97-101页

作者：王启岁 ZHANG Changchun XING Junlong YANG Maoping XIE Jia Technology Research Center of Lithium-ion Battery in Anhui Province Hefei Guoxuan High-tech Power Energy Co. Ltd. Department of materials Science and Engineering University of Science and Technology of China

To improve the cyclic stability at high temperature and thermal stability, the spherical Al2O3-modified Li（Ni0.5Co0.2Mn0.3）O2 was synthesized by a modified co-precipitation method, and the physical and electrochemical properties were studied. The TEM images showed that Li（Ni0.5Co0.2Mn0.3）O2 was modified successfully with nano-Al2O3. The discharge capacity retention of Al2O3-modified Li（Ni0.5Co0.2Mn0.3）O2 maintained about 99% after 200 cycles at high temperature（55 ℃）, while that of the bare one was only 86%. Also, unlike bare Li（Ni0.5Co0.2Mn0.3）O2, the Al2O3-modified material cathode exhibited good thermal stability.

关键词： modified precipitation method layered cathode materials Al2O3- modified cyclic stability DSC

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