Article
Energy & Fuels
Wenjuan Jiang, Qi Zhou, Feng Lu, Yufang Chen, Zengsheng Ma
Summary: In this paper, a thermal-electrochemical-mechanical coupled model (TECM model) is proposed to predict capacity loss, concentration evolution, thermal runaway, and mechanical degradation in Li-ion batteries. The model takes into account thermal diffusion, thermoelectric, and Dufour effects. The correlation between prediction difference and discharging rate is further studied. The results show that TECM model is more suitable for electrical prediction under variable temperature conditions and has higher thermal prediction accuracy, which is beneficial to thermal management. Additionally, TECM model can describe multiple physics fields in one calculation.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Thermodynamics
C. X. He, Q. L. Yue, M. C. Wu, Q. Chen, T. S. Zhao
Summary: A three-dimensional electrochemical-thermal coupled model is developed to study the characteristics of pouch-type lithium-ion batteries under natural convection conditions. The simulation results show that the average particle size of electrodes directly affects the heat generation rate, and the uneven distribution of local current density leads to non-uniform temperature distribution.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Physical
Cedric Kirst, Juan Ramos Zayas, Jan Singer
Summary: This work introduces two novel measurement methods for capturing the thermal behaviour of Li-ion cells in the frequency domain, which are validated by comparing them to the state of the art method. All experiments are conducted with a cylindrical 18650 LFP-Graphite cell and lead to similar thermal impedance spectra. A 0-D thermal model fitted to the respective measurement results is validated with a thermal step response in the time domain, showing accurate representation of the thermal behaviour with a mean absolute error below 0.3 K. The spider-web diagram classifies and compares the methods based on five values, demonstrating a 62% reduction in the state of the art thermal measurement time and an increase in impedance measurement resolution by measuring multiple frequencies simultaneously.
JOURNAL OF POWER SOURCES
(2023)
Article
Thermodynamics
Yu-qiang Shao, Huan-ling Liu, Xiao-dong Shao, Lin Sang, Zeng-tao Chen
Summary: A fully coupled electrochemical-mechanical theoretical model for all-solid-state Li-ion batteries considering the effects of contact areas and compressive pressure was established. The study examined the influences of contact area loss and compressive pressure on the electrical and mechanical properties of the batteries during the charging process. The results showed that loss of contact area can lead to poor electrical performance, and compressive pressure affects the charging performance significantly.
Article
Chemistry, Physical
Francesca Pistorio, Davide Clerici, Francesco Mocera, Aurelio Soma
Summary: This study aims to quantify the fracture behavior of LCO-graphite batteries by computing the stress intensity factor, to evaluate the mechanical degradation causing battery aging. A realistic electrochemical model of the battery cell is first created to obtain boundary conditions for the fracture model, which is linked to user-defined battery usage. The fracture model, using a modified J-integral, is implemented in Ansys to compute the stress intensity factor for mechanical-diffusive phenomena.
JOURNAL OF POWER SOURCES
(2023)
Article
Engineering, Environmental
Qian-Kun Wang, Jia-Ni Shen, Zi-Feng Ma, Yi-Jun He
Summary: This study proposes a modeling strategy that couples a pseudo two-dimensional electrochemical model and a three-dimensional thermal model to describe the electrical and thermal dynamics of commercial LIBs, with the adoption of a variable solid state diffusion concept to enhance prediction ability. By introducing a decoupling estimation strategy and surrogate model optimization approach, the efficiency and accuracy of parameter estimation are improved significantly.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Energy & Fuels
Chao Wang, Xu Zhang, Yixiu Cui, Ke He, Yong Cao, Xiaojiang Liu, Chao Zeng
Summary: This study develops a system-level thermal-electrochemical model to evaluate the activation characteristics of thermal batteries. The model considers various physical and chemical processes and reveals the influence of cell stack geometry and pyrotechnic pellet thickness ratio on the activation process.
Article
Chemistry, Physical
Mojtaba Khalili Azar, Mohammad Amin Razmjoo Khollari, Mehdi Esmaeili, Ehsan Heidari, Seyed Morteza Hosseini-Hosseinabad, Roozbeh Siavash Moakhar, Abolghasem Dolati, Seeram Ramakrishna
Summary: Coating NCM811 cathode material with ZrO2 and composite rGO-ZrO2 can greatly improve cycling and thermal stability, effectively overcoming capacity fading and poor structural stability issues, exhibiting superior performance at 25 and 55 degrees C.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Fan Yue, Qiuying Xia, Yang Gong, Mingyang Wang, Hui Xia, Xiaodong Huang
Summary: A fully coupled electrochemical-mechanical-thermal model was established to investigate the behavior of all-solid-state thin-film Li-ion batteries at low temperatures. It was found that mass-transfer overpotential across the electrolyte and charge-transfer overpotential at the cathode/electrolyte interface are key factors affecting battery performance.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Multidisciplinary
Jae Yeon Yoo, Tae Yeong Kim, Dong-Min Shin, Yongku Kang, Mi Hye Wu, Yun Chan Kang, Do Youb Kim
Summary: Lithium (Li) composites with Li-ionic conductive Al-doped Li7La3Zr2O12 (LLZO) particles (Li/LLZO) are fabricated using a mechanical kneading process. These composites effectively regulate the Li-ion flux and suppress the Li dendritic growth by creating faster pathways for Li-ion migration. As a result, Li-metal-based cells utilizing the Li/LLZO composite anodes demonstrate significantly enhanced cycle stability compared to cells employing pure Li anodes.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Pengfei Zhang, Jiajun Lu, Kangbo Yang, Haipeng Chen, Yuqi Huang
Summary: A coupled simulation model of the thermal runaway of the 18650 lithium-ion batteries was developed in this study, considering TR decomposition reaction, gas generation and combustion processes, solid particles ejection, and particles heat transfer process. The model accurately captures the temperature evolution and two typical jet processes during TR, and the simulation results showed the importance of considering the effect of solid particles. The model innovatively combines the effect of solid particles' radiation into the TR simulation, providing a more accurate calculation method for TR propagation prediction.
JOURNAL OF POWER SOURCES
(2023)
Article
Thermodynamics
Ali Amini, Tanilay Ozdemir, Ozgur Ekici, S. Caglar Baslamisli, Murat Koksal
Summary: In this study, a coupled battery model was developed using a novel entropic term estimation procedure to predict the thermal behavior of a Li-ion battery under different operating temperatures and charge/discharge rates. The experimental results demonstrated that the model's predictions were accurate in simulating the transient thermal characteristics of the battery cell under dynamic conditions.
APPLIED THERMAL ENGINEERING
(2021)
Article
Thermodynamics
Alireza Qaderi, Farzad Veysi
Summary: Water-nano encapsulated phase change material (water-NEPCM) is a promising coolant made from PCM nano capsules dispersed in water. This study investigated the thermal management system of an 18650 Li-ion battery pack using water-NEPCM. The results showed that water-NEPCM can significantly lower the battery cell's temperatures, increase temperature uniformity, and affect the Li-ion concentration and voltage.
Article
Electrochemistry
Lei Guan, Yutao Shi, Chaojie Gao, Tao Wang, Jianqiu Zhou, Rui Cai
Summary: This study investigates the interface and mechanical flexiblity issues of a flexible thin-film all-solid-state Li-ion battery (ASSLB) composed of NMC811 cathode, SiC anode, and LGPS solid-electrolyte. The results show that bending effects can alleviate interfacial stress and increasing the curvature and contact factor can delay the time to reach the cut-off voltage, thereby increasing cell capacity. This study provides important theoretical guidance for improving interface design and enhancing battery stability.
ELECTROCHIMICA ACTA
(2023)
Article
Engineering, Manufacturing
Antonio Pio Catalano, Ciro Scognamillo, Francesco Piccirillo, Marcello Iasiello, Pierluigi Guerriero, Nicola Bianco, Lorenzo Codecasa, Vincenzo d'Alessandro
Summary: This article introduces two models for modeling thermo-electrochemical mechanisms in Li-ion batteries. The first model is a numerical model suitable for finite-element method simulations, which was validated by comparing simulation results with experimental data. The second model is a macrocircuit model suitable for fast and accurate simulations in a SPICE-compatible software package, and it has been validated with FEM simulation results and proven effective in simulations of practical circuits based on batteries.
IEEE TRANSACTIONS ON COMPONENTS PACKAGING AND MANUFACTURING TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
Yaqin Wu, Zixiang Luo, Xuri Wang, Guoli Fu, Weixin Lei, Youlan Zou, Bingbing Yin, Zengsheng Ma, Yong Pan, Wenjuan Jiang
Summary: By uniformly depositing Ni-P alloy nanoparticles on the surface of CNTs to form a three-dimensional conductive framework, cotton-like CNTs/(Ni-P)/S composites were prepared in this study, which can effectively improve the electrical conductivity of positive electrode materials and alleviate the 'shuttle effect'. The composites exhibited high initial discharge specific capacity and remained stable after 200 cycles.
MATERIALS RESEARCH BULLETIN
(2022)
Article
Materials Science, Ceramics
Z. Y. Tan, X. Wu, W. Zhu, J. W. Guo, W. Wang, Z. S. Ma
Summary: Aging strengthening is crucial for traditional alloys, but it is challenging to achieve in ultra-high temperature ceramics (UHTCs). By using reactive plasma spraying and spark plasma sintering, we successfully prepared a high-density supersaturated Ta-Hf-W-C nano-composite ceramic coating with a grid interlocking structure. The coating exhibited excellent hardness and elastic modulus due to fine grain strengthening, solid solution strengthening, and ordered grain boundary strengthening.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Physics, Condensed Matter
Zhengchun Zou, Pan Zhou, Rui Tan, Wenqi Li, Zengsheng Ma, Lizhong Sun
Summary: According to this study, it is discovered that spin Hall conductivity plateaus can form in three-dimensional metallic materials, expanding our understanding of conductivity plateaus beyond insulators.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Materials Science, Multidisciplinary
Bei Huang, Zengsheng Ma
Summary: In this study, first-principles calculations were performed to investigate the thermal-mechanical properties of LnTa(2)O(6) ceramics. The results showed that LnTa(2)O(6) has excellent fracture toughness and thermal conductivity, lower Young's modulus and comparable hardness compared to YSZ. These characteristics make LnTa(2)O(6) ceramics a promising material for next-generation turbine engines.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Xuanyi Zhou, Chenghan Li, Biao Zhang, Fenfen Huang, Pan Zhou, Xinming Wang, Zengsheng Ma
Summary: In this study, Zeolitic Imidazolate Frameworks (ZIFs) modified by two different functional groups (-NH 2 and - CH 3 ) were used as the fillers of polyethylene oxide (PEO) composite solid electrolytes to explore the catalytic effect of groups on LiF generation. The PEO-ZIF-NH 2 with LiF-rich solid electrolyte interphase (SEI) exhibited enhanced cycling performance compared to PEO-ZIF-CH 3 . First-principles calculation revealed that ZIFs-NH 2 made the C-F bond in TFSI- longer, leading to easier breakage and promoted LiF formation. This simple design idea of using organic catalysis provides a new aspect for preparing high-performance lithium metal batteries.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Zhengchun Zou, Wenqi Li, Zehou Li, Pan Zhou, Zengsheng Ma, Lizhong Sun
Summary: The hexagonal layered material Pt2B exhibits a giant intrinsic spin Hall conductivity, making it suitable for generating pure spin current.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2022)
Article
Engineering, Multidisciplinary
GuiXiu Dong, Yan Wang, WenJuan Jiang, YouLan Zou, ZengSheng Ma
Summary: In this paper, a method is proposed to quantify the interface adhesion properties of sulfide electrode materials using BOLS and XPS, and the exact interface adhesion energy of CuS is determined to be 3.42 J m(-2).
SCIENCE CHINA-TECHNOLOGICAL SCIENCES
(2022)
Article
Electrochemistry
Zehua Wang, Wenjuan Jiang, Yazi Zhao, Longzhou Hu, Yan Wang, Zengsheng Ma
Summary: Solid-state lithium metal batteries are promising high-energy-density storage devices, but the growth of lithium dendrites can cause internal short circuits and thermal runaway. This study proposes a chemical-mechanical coupling phase-field model to investigate the growth mechanism of lithium dendrites within solid electrolytes, and explores the factors influencing dendrite growth.
JOURNAL OF SOLID STATE ELECTROCHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Bei Huang, Wang Zhu, Lizhong Sun, Zengsheng Ma
Summary: In this paper, first-principles calculations are conducted to investigate the properties of rare-earth tantalates Ln3Ta5O15 compounds. The results demonstrate that tetragonal Ln3Ta5O15 compounds have low thermal conductivity, compatible coefficients of thermal expansion, high melting points, excellent mechanical properties, and good thermal shock resistance, making them potential candidates for new thermal barrier coatings.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Review
Physics, Multidisciplinary
Chang Q. Sun, Yongli Huang, Xi Zhang, Zengsheng Ma, Biao Wang
Summary: The concept of asymmetrical Hydrogen Bond (O:H-O) Cooperativity and Polarizability (HBCP) allows for the exploration of the core physics behind the irregularities of water and ice, including the evolution of mass density, phase stability, energy exchange, and transition velocity under perturbation. This concept plays a crucial role in understanding the properties and phase transitions of water and ice.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Fenfen Huang, Guolie Liang, Pan Zhou, Zengsheng Ma, Lizhong Sun
Summary: In this paper, a symmetry-protected semimetal C4N4 is proposed, which is a two-dimensional carbon-nitrogen monolayer synthesized from 1,3,5,7-Tetrazocine molecules via dehydrogenation reaction. Through first-principle calculations and symmetry analysis, it is found that the nodal line in the monolayer C4N4 is protected by horizontal mirror symmetry and originates from the crossing between N-p(x(y)) and C-p(z) orbitals. A k.p model is used to explain the formation of the nodal line. When this material is synthesized on a substrate, the nodal line will transform into multiple isolated Dirac points with the protection of vertical mirror symmetries. The study of energy band structures of AA- and AB-stacking bulks reveals the existence of nodal surfaces in their 3D Brillouin zone. This research provides a possible experimental routine to synthesize 2D C4N4 and validate the symmetry-protected nature of the nodal line.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Xuanyi Zhou, Biao Zhang, Fenfen Huang, Fangkun Li, Zengsheng Ma, Jun Liu
Summary: A new type of zwitter-ion modified metal-organic framework (NH3+center dot SO3-@ZIFs) is prepared as a modifier for PEO-LiTFSI, which can effectively inhibit the growth of lithium dendrites and form a LiF-rich solid electrolyte interface with high ion migration number, demonstrating the great potential of this kind of SPEs for high-performance lithium metal batteries.
Article
Engineering, Environmental
Yaru Liang, Haitao Liu, Youlan Zou, Li Yang, Zengsheng Ma
Summary: The structure engineering of yolk-shell design plays a crucial role in extending the cycle life of conversion- and alloy-type electrode materials. However, the limited contacting area between the yolk and shell hinders charge transfer paths, resulting in slow kinetics. This study presents a general strategy of self-sacrificing assisted porous engineering to achieve fast and stable lithium storage in a series of metal sulfides. The engineered porous core and uniform shell effectively alleviate intermediates dissolution and volume expansion, while ensuring rapid reaction kinetics of metal sulfides.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Xuanyi Zhou, Chenghan Li, Biao Zhang, Fenfen Huang, Pan Zhou, Xinming Wang, Zengsheng Ma
Summary: As an urgent problem in the performance improvement of lithium metal batteries, the acquisition of dense LiF-rich solid electrolyte interphase (SEI) has been explored using Zeolitic Imidazolate Frameworks (ZIFs) modified by two different functional groups (-NH2, - CH3) as fillers in polyethylene oxide (PEO) composite solid electrolytes. The PEO-ZIF-NH2 with LiF-rich SEI exhibited enhanced cycling performance in a LiFePO4||SPE||Li cell test, which was 3.8 times longer than PEO-ZIF-CH3. The formation mechanism of LiF-rich SEI was investigated using first-principles calculation, providing a new approach for preparing high-performance lithium metal batteries.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Multidisciplinary
F. F. Huang, P. Zhou, W. Q. Li, S. D. He, R. Tan, Z. S. Ma, L. Z. Sun
Summary: In this paper, we study the existence of nontrivial phononic second-order topological phase in C3N, a two-dimensional material. The nontrivial phase is due to the mismatch between the Wannier centers of the out-of-plane phonon modes and the atomic positions. We find that gapped edge modes and in-gap corner modes only exist on structures with broken pure-carbon-ring terminations, and these modes are robust to external disturbances. This provides a new avenue to explore higher-order topological phases in Bose systems in crystalline materials.
