Article
Chemistry, Physical
Wandong Xing, Haozhi Sha, Fanyan Meng, Rong Yu
Summary: Vacancies have a significant impact on the structural stability of oxide surfaces. Surprisingly, this effect has been neglected in previous decades. Through first-principles calculations, it has been found that cation vacancies in transition metal oxides tend to segregate to the surface, resulting in the formation of surfaces with a high proportion of cation vacancies that are energetically more stable. The segregation of point defects in transition metal oxides may play a significant role in understanding their catalysis and electronic properties.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Qian Yang, Hai Jun Cho, Zhiping Bian, Mitsuki Yoshimura, Joonhyuk Lee, Hyoungjeen Jeen, Jinghuang Lin, Jiake Wei, Bin Feng, Yuichi Ikuhara, Hiromichi Ohta
Summary: A solid-state thermal transistor that can control heat flow electrochemically without the use of liquids is demonstrated in this study. The transistor consists of a multilayer film and the crystal structure and thermal conductivity can be modulated through electrochemical redox treatment. This solid-state electrochemical thermal transistor has the potential to be the next-generation device in thermal management technology.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Myeong-Hun Jo, Ha-Na Jang, Hyo-Jin Ahn
Summary: This study introduces one-pot-induced defective structures on CVO-PCNFs as the battery-type anodes of LICs, improving their Li-ion storage performance and ultrafast rate charge/discharge. The defective structures include oxygen vacancies in CVO crystals and mesopores in CNFs, which accelerate Li-ion and electron transport kinetics. The battery-type anode fabricated using CVO-PCNFs exhibits notable discharge capacity, cyclic stability, and ultrafast rate capability.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Physics, Condensed Matter
Calvin Ku, Patrick H-L Sit
Summary: In this study, oxidation-state constrained density functional theory (OS-CDFT) was used to calculate the optical band gaps of transition metal oxides and dopant state energies in doped anatase. This approach allows for the control of electron transfer and the identification of the transition responsible for the reduced band gap in doped systems.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Materials Science, Multidisciplinary
Alaa Akkoush, Yair Litman, Mariana Rossi
Summary: In this study, the structural and electronic characteristics of point defects in monolayer transition metal dichalcogenides MX2 were investigated using density functional theory. The stability and electronic structure of charged vacancy defects in monolayer MoS2 were found to be influenced by temperature and external conditions. A charge compensation scheme based on the virtual crystal approximation was employed for the simulation of charged defects. The study also provided experimental evidence that the vacancy defect is negatively charged.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Zhiping Bian, Qian Yang, Mitsuki Yoshimura, Hai Jun Cho, Joonhyuk Lee, Hyoungjeen Jeen, Takashi Endo, Yasutaka Matsuo, Hiromichi Ohta
Summary: Researchers have successfully modulated the thermal conductivity of solid-state electrochemical thermal transistors by manipulating the ordered lattice arrangement of the material, leading to improved performance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Shilin Zhao, Yuchen Wang, Xingyu Xie, Xiaoshuo Liu, Yiren Liao, Hanzi Liu, Zhiqiang Sun
Summary: This study systematically investigated the adsorption of As2O3 on metal oxide surfaces using DFT calculation. The results showed that the adsorption abilities of different metal oxides varied, and SO2 competed for active adsorption sites. Additionally, pre-adsorbed SO2 decreased the adsorption activity of As2O3.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Mamutjan Tursun, Chao Wu
Summary: In this study, the catalytic activities of defective WX2 monolayers in the nitrogen reduction reaction were evaluated using first-principles calculations. The results showed that catalysts with antisite defects exhibited better performance and could be used as a basis for developing improved catalysts.
Article
Chemistry, Physical
Wang Yang, Liqiang Hou, Peng Wang, Yun Li, Rui Li, Bo Jiang, Fan Yang, Yongfeng Li
Summary: This study presents the rational design of hierarchical NiCo2O4 architectures with 2D-nanosheets-shell and 3D-nanocages-core for high-performance supercapacitors, addressing the challenges of sluggish reaction kinetics, low mass loading, and volume change. The designed electrode exhibits excellent electrochemical performance and provides new insights for energy storage applications.
GREEN ENERGY & ENVIRONMENT
(2022)
Article
Chemistry, Physical
Jialiang Hou, Faqing Dong, Shuchun Hu, Run Zhang, Youhong Tang, Chenghua Sun, Hongping Zhang
Summary: This study systematically investigates the behavior of water on various calcite surfaces with defects using density functional theory. It was found that different types of defects have varying degrees of enhancement on water adsorption, with vacancy defects playing a more significant role. The activation energy of water dissociation is related to the ICOHP energy of the dopants - O of water atom pairs in the water-calcite surface interaction systems.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Viktor Ellingsson, Atef Iqbal, Egill Skulason, Younes Abghoui
Summary: This study investigates the potential of transition metal carbide surfaces as catalysts for the nitrogen reduction reaction (NRR) using density functional theory. It finds that pristine surfaces do not possess the ability to produce ammonia efficiently, but the introduction of a carbon vacancy enhances the catalytic performance of certain transition metal carbides.
Article
Chemistry, Multidisciplinary
Shujie Zhang, Kejiang Li, Yan Ma, Yushan Bu, Zeng Liang, Zonghao Yang, Jianliang Zhang
Summary: This study employs density functional theory (DFT) to investigate the adsorption behavior of hydrogen atoms and H-2 on different crystal FeO surfaces. It reveals that Fe (catalytic site) and O (binding site) atoms contribute to the interaction between H-2 and FeO surfaces.
Article
Biochemistry & Molecular Biology
Mikhail S. Kuklin, Kim Eklund, Jarno Linnera, Artturi Ropponen, Nikolas Tolvanen, Antti J. Karttunen
Summary: In this study, the structural properties, magnetic ground states, and fundamental electronic properties of 100 binary d-metal oxides were systematically investigated using hybrid density functional methods and localized basis sets. The PBE0 hybrid functional method was found to accurately describe the structural properties of most d-metal oxides, except for molecular oxides with weak intermolecular forces. A database of optimized geometries and magnetic ground states was provided for future studies on the more complex properties of binary d-metal oxides.
Article
Chemistry, Physical
Petra Pikulova, Debora Misenkova, Radek Marek, Stanislav Komorovsky, Jan Novotny
Summary: Understanding the relationship between the electronic g-tensor and the electronic structure is crucial for interpreting electron paramagnetic resonance spectra correctly. In this study, we investigated the quadratic spin-orbit (SO) contributions to the g-shift in heavy transition metal complexes. We found that the dominant quadratic SO term, spin-Zeeman (SO2/SZ), generally leads to a negative contribution to the g-shift. Moreover, we analyzed how the SO2/SZ contribution affects the individual principal components of the g-tensor in combination with the linear orbital-Zeeman (SO/OZ) contribution.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Seock-Joon Jeong, Kue-Ho Kim, Shuo Bai, Hyo-Jin Ahn
Summary: This study demonstrates a hybrid composite structure of porous fluorine-doped tin oxide (FTO) microspheres on vanadium oxide films for developing multifunctional highly capacitive electrochromic layers. The hybrid composite structure exhibits superior electrochromic and energy storage performances, making it suitable for applications such as smart windows and sunglasses.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Qian Wang, Shayan Vazirieh Lenjani, Oleksandr Dolynchuk, Alberto D. Scaccabarozzi, Hartmut Komber, Yuejie Guo, Florian Guenther, Sibylle Gemming, Robert Magerle, Mario Caironi, Michael Sommer
Summary: This study investigates homocoupling defects in copolymers made from TzDPPTz and F4, finding that these defects cause bathochromically shifted absorption spectra, decreased photoluminescence, and lower LUMO energy levels. However, thin film morphology, nanostructure, and electron mobility were minimally impacted. Theoretical calculations suggest that the localization of the highest occupied molecular orbital on the hc defect does not affect electron transport, making PTzDPPTzF4 a robust electron-transporting copolymer.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Physical
Qian Wang, Steffen Boeckmann, Florian Guenther, Martin Streiter, Mario Zerson, Alberto D. Scaccabarozzi, Wen Liang Tan, Hartmut Komber, Carsten Deibel, Robert Magerle, Sibylle Gemming, Christopher R. McNeill, Mario Caironi, Michael Ryan Hansen, Michael Sommer
Summary: The study investigates the influence of intramolecular hydrogen bonding on different conformation, molecular, structural, and opto-electronic characteristics of ThDPPTh and TzDPPTz. The copolymers PThDPPThF4 and PTzDPPTzF4 exhibit distinct backbone conformations and structural properties, leading to 20 times larger field-effect electron mobilities for PThDPPThF4. The differences in structural properties significantly affect the opto-electronic properties of the copolymers.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Physical
Mani Lokamani, Jeffrey Kelling, Robin Ohmann, Jorg Meyer, Tim Kuehne, Gianaurelio Cuniberti, Jannic Wolf, Thomas Huhn, Peter Zahn, Francesca Moresco, Sibylle Gemming
Summary: The electronic and geometrical structure of PEEB molecules adsorbed on an Au(111) surface was studied, showing physisorption with minimal distortion of the molecular geometry and negligible charge transfer between the molecule and substrate.
Article
Physics, Condensed Matter
Andre Niebur, Tommy Lorenz, Jan-Ole Joswig, Gotthard Seifert, Sibylle Gemming, Michael Schreiber
Summary: The study reveals that both triangular platelets and hole defects in MoS2 exhibit characteristic edge electronic states with high catalytic activity and structural stability, as well as a thermodynamic propensity to participate in sulfur exchange reactions.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2021)
Article
Multidisciplinary Sciences
Lokamani, Jeffrey Kelling, Robin Ohmann, Joerg Meyer, Tim Kuehne, Gianaurelio Cuniberti, Jannic Wolf, Guido Juckeland, Thomas Huhn, Peter Zahn, Francesca Moresco, Sibylle Gemming
Summary: Due to the low corrugation of the Au(111) surface, PEEB molecules can form quasi interlocked lateral patterns, which can potentially be exploited to form one-dimensional molecular wires on Au(111) based on the analysis of energy function selecting specific optimal patterns.
SCIENTIFIC REPORTS
(2021)
Article
Nanoscience & Nanotechnology
Filip Kilibarda, Alexander Strobel, Torsten Sendler, Matthias Wieser, Michael Mortensen, Julie Brender Trads, Manfred Helm, Jochen Kerbusch, Elke Scheer, Sibylle Gemming, Kurt Gothelf, Artur Erbe
Summary: This study presents a comprehensive investigation of charge transport in a class of molecules that allows modifications by introducing metal centers into organic structures. It is found that the presence of single metal ions can modify the energy levels and the coupling of the molecules to the electrical contacts, leading to systematic variations in the statistical behavior of transport properties of the molecular junctions. The understanding of the role of the metal ion in the resulting conductance properties is crucial for the development of molecular electronic circuits.
ADVANCED ELECTRONIC MATERIALS
(2021)
Article
Crystallography
Christian Ludt, Elena Ovchinnikova, Anton Kulikov, Dmitri Novikov, Sibylle Gemming, Dirk C. Meyer, Matthias Zschornak
Summary: This study focused on validating the possible connection between the known Ruddlesden-Popper (RP) phases and the novel concept of migration-induced field-stabilized polar (MFP) phase. Analysis of model structures of RP phases in bulk strontium titanate using density functional theory (DFT) showed that RP phases generally favor MFP formation. Good agreement was found concerning atomic displacements and lattice strain, indicating the potential for RP phases to influence MFP formation.
Article
Chemistry, Multidisciplinary
Annika Morgenstern, Rico Thomas, Apoorva Sharma, Marcus Weber, Oleksandr Selyshchev, Ilya Milekhin, Doreen Dentel, Sibylle Gemming, Christoph Tegenkamp, Dietrich R. T. Zahn, Michael Mehring, Georgeta Salvan
Summary: Bismuth compounds have attracted growing interest due to their potential applications in catalysis, medicine, and electronics. However, the low solubility of bismuth oxido precursors hampers their further development. In this study, the solubilization of bismuth oxido clusters was achieved by introducing an amino carboxylate as a functional group. The exchange of nitrates by amino carboxylates was confirmed by various spectroscopic techniques. The solubility of the clusters in different solvents and their growth mode on gold surfaces were investigated using microscopy and spectroscopy.
Article
Crystallography
Krishnasamy Subramaniam, Matthias Zschornak, Sibylle Gemming
Summary: Studying the wave-particle nature of electrons in different dimensions has led to fundamental discoveries in quantum electronics. This work focuses on the non-integer dimension of an sp(2)-carbon-based Sierpinski triangular structure and examines its electronic behavior and wave propagation characteristics. Through theoretical and experimental studies, distinct peak patterns in the electronic spectral distribution and unique diffraction patterns in microwave scattering measurements were observed, indicating the interference characteristics of the fractal structure.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS
(2022)
Article
Polymer Science
Dominik Stegerer, Martin Pracht, Florian Guenther, Hengda Sun, Kevin Preis, Mario Zerson, Wafa Maftuhin, Wen Liang Tan, Renee Kroon, Christopher R. McNeill, Simone Fabiano, Michael Walter, Till Biskup, Sibylle Gemming, Robert Magerle, Christian Mueller, Michael Sommer
Summary: In this study, quaternization of PyDPPPy successfully lowered the LUMO energy level of the diketopyrrolopyrrole monomer by 0.7 eV, resulting in MePyDPPPy. The further functionalization of MePyDPPPy led to the formation of the copolymeric ionene PMePyDPPPyT2, which formed thixotropic organogels with the p-type polythiophene P(g(4)2T-TT, revealing specific interactions between the two polymers.
Article
Physics, Multidisciplinary
Chitran Ghosal, Markus Gruschwitz, Julian Koch, Sibylle Gemming, Christoph Tegenkamp
Summary: Rotationally aligned plumbene honeycomb lattices were synthesized by intercalating Pb on buffer layers, inducing a metal-insulator transition in graphene.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Applied
M. Ferrera, M. Rahaman, S. Sanders, Y. Pan, I. Milekhin, S. Gemming, A. Alabastri, F. Bisio, M. Canepa, D. R. T. Zahn
Summary: This study investigates the effects of light confinement within metallic nanostructures on the excitonic properties of transition metal dichalcogenides. The research utilizes tip-enhanced photoluminescence spectroscopy to control the excitons of monolayer molybdenum disulfide coupled with gold nanotriangles in the quantum tunneling regime. The findings demonstrate the impact of plasmonic enhancement on the photoluminescence peak of monolayer MoS2 and provide insights into the photoluminescence quenching rate.
APPLIED PHYSICS REVIEWS
(2022)
Article
Materials Science, Multidisciplinary
Thomas Koehler, Matthias Zschornak, Christian Roeder, Juliane Hanzig, Gunter Gartner, Tilmann Leisegang, Erik Mehner, Hartmut Stoecker, Dirk C. Meyer
Summary: It is known that LiMO3 crystals have a hydrogen defect which forms OH- defects. The absorption band shape can be used to determine different hydrogen occupation sites and their chemical environment. FT-IR and Raman spectra were used to measure the OH- stretching vibration in near-stoichiometric and congruent LiNbO3 and LiTaO3 crystals. The results show that the OH- defect is mostly located within the O-O plane perpendicular to the crystallographic c axis.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Mani Lokamani, Filip Kilibarda, Florian Guenther, Jeffrey Kelling, Alexander Strobel, Peter Zahn, Guido Juckeland, Kurt V. Gothelf, Elke Scheer, Sibylle Gemming, Artur Erbe
Summary: The current-voltage characteristics of a single-molecule junction depend on the electronic coupling between the electrodes and the molecule's transport channels. This coupling, known as Gamma, is influenced by the choice of anchoring groups and their positions on the tip facets as well as the tip-tip separation. In this study, experiments on a specific molecule, N,N'-bis(5-ethynylbenzenethiol-salicylidene)ethylenediamine, using mechanically controllable break junction, reveal the stretch evolution of Gamma with increasing tip-tip separation. A dynamic simulation approach successfully models this stretch evolution and establishes a connection to the microscopic structure of the single-molecule junction.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Kathrin Kulmus, Sibylle Gemming, Michael Schreiber, Dimitar Pashov, Swagata Acharya
Summary: The study demonstrates that NbO2 is essentially a Peierls-type material through advanced electronic structure calculations, successfully replicating experimental values for electronic properties by simulating different phases with the Bethe-Salpeter equation. The anisotropic nature of the rutile structure and nesting vectors in the Fermi surfaces in certain planes were also observed.
Article
Chemistry, Physical
Tianyu Chen, Zhibin Lu, Guangjin Zeng, Yongmin Xie, Jie Xiao, Zhifeng Xu
Summary: The study introduces a high-performance LSGM electrolyte-supported tubular DC-SOFC stack for portable applications, which shows great potential in developing into high-performing, efficient, and environmentally friendly portable power sources for distributed applications.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Wenbin Tong, Yili Chen, Shijie Gong, Shaokun Zhu, Jie Tian, Jiaqian Qin, Wenyong Chen, Shuanghong Chen
Summary: In this study, a three-dimensional porous NiO interface layer with enhanced anode dynamics is fabricated, forming a Schottky contact with the zinc substrate, allowing rapid and uniform zinc plating both inside and below the interface layer. The resulting NiO@Zn exhibits exceptional stability and high capacity retention.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yafeng Bai, Kaidi Li, Liying Wang, Yang Gao, Xuesong Li, Xijia Yang, Wei Lu
Summary: In this study, a flexible zinc ion supercapacitor with gel electrolytes, porous alpha-MnO2@reduced graphene oxide cathode, and activated carbon/carbon cloth anode was developed. The device exhibits excellent electrochemical performance and stability, even at low temperatures, with a high cycle retention rate after 5000 cycles.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Anmol Jnawali, Matt D. R. Kok, Francesco Iacoviello, Daniel J. L. Brett, Paul R. Shearing
Summary: This article presents the results of a systematic study on the electrochemical performance and mechanical changes in two types of commercial batteries with different anode chemistry. The study reveals that the swelling of anode layers in batteries with silicon-based components causes deformations in the jelly roll structure, but the presence of a small percentage of silicon does not significantly impact the cycling performance of the cells within the relevant state-of-health range for electric vehicles (EVs). The research suggests that there is room for improving the cell capacities by increasing the silicon loading in composite anodes to meet the increasing demands on EVs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yohandys A. Zulueta, My Phuong Pham-Ho, Minh Tho Nguyen
Summary: Advanced atomistic simulations were used to study ion transport in the Na- and K-doped lithium disilicate Li2Si2O5. The results showed that Na and K doping significantly enhanced Li ion diffusion and conduction in the material.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Zongying Han, Hui Dong, Yanru Yang, Hao Yu, Zhibin Yang
Summary: An efficient phase inversion-impregnation approach is developed to fabricate BaO-decorated Ni8 mol% YSZ anode-supported tubular solid oxide fuel cells (SOFCs) with anti-coking properties. BaO nanoislands are successfully introduced inside the Ni-YSZ anode, leading to higher peak power densities and improved stability in methane fuel. Density functional theory calculations suggest that the loading of BaO nanoislands facilitates carbon elimination by capturing and dissociating H2O molecules to generate OH.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Suresh Mamidi, Dan Na, Baeksang Yoon, Henu Sharma, Anil D. Pathak, Kisor Kumar Sahu, Dae Young Lee, Cheul-Ro Lee, Inseok Seo
Summary: Li-CO2 batteries, which utilize CO2 and have a high energy density, are hindered in practical applications due to slow kinetics and safety hazards. This study introduces a stable and highly conductive ceramic-based solid electrolyte and a metal-organic framework catalyst to improve the safety and performance of Li-CO2 batteries. The optimized Li-CO2 cell shows outstanding specific capacity and cycle life, and the post-cycling analysis reveals the degradation mechanism of the electrodes. First-principles calculations based on density functional theory are also performed to understand the interactions between the catalyst and the host electrode. This research demonstrates the potential of MOF cathode catalyst for stable operation in Li-CO2 batteries.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Ganghua Xiang, Zhihuan Qiu, Huilong Fei, Zhigang Liu, Shuangfeng Yin, Yuen Wu
Summary: In this study, a CeFeOx-supported Pt single atoms and subnanometric clusters catalyst was developed, which exhibits enhanced catalytic activity and stability for the preferential oxidation of CO in H2-rich stream through synergistic effect.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Dimitrios Chatzogiannakis, Marcus Fehse, Maria Angeles Cabanero, Natalia Romano, Ashley Black, Damien Saurel, M. Rosa Palacin, Montse Casas-Cabanas
Summary: By coupling electrochemical testing to operando synchrotron based X-ray absorption and powder diffraction experiments, blended positive electrodes consisting of LiMn2O4 spinel (LMO) and layered LiNi0.5Mn0.3Co0.2O2 (NMC) were studied to understand their redox mechanism. It was found that blending NMC with LMO can enhance energy density at high rates, with the blend containing 25% LMO showing the best performance. Testing with a special electrochemical setup revealed that the effective current load on each blend component can vary significantly from the nominal rate and also changes with SoC. Operando studies allowed monitoring of the oxidation state evolution and changes in crystal structure, in line with the expected behavior of individual components considering their electrochemical current loads.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Chiara Cementon, Daniel Dewar, Thrinathreddy Ramireddy, Michael Brennan, Alexey M. Glushenkov
Summary: This Perspective discusses the specific power and power density of lithium-ion capacitors, highlighting the fact that their power characteristics are often underestimated. Through analysis, it is found that lithium-ion capacitors can usually achieve power densities superior to electrochemical supercapacitors, making them excellent alternatives to supercapacitors.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Weihao Wang, Hao Yu, Li Ma, Youquan Zhang, Yuejiao Chen, Libao Chen, Guichao Kuang, Liangjun Zhou, Weifeng Wei
Summary: This study achieved an improved electrolyte with excellent low-temperature and high-voltage performance by regulating the Li+ solvation structure and highly concentrating it. The electrolyte exhibited outstanding oxidation potential and high ionic conductivity under low temperature and high voltage conditions, providing a promising approach for the practical application of high-voltage LIBs.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Martin Bures, Dan Gotz, Jiri Charvat, Milos Svoboda, Jaromir Pocedic, Juraj Kosek, Alexandr Zubov, Petr Mazur
Summary: Vanadium redox flow battery is a promising energy storage solution with long-term durability, non-flammability, and high overall efficiency. Researchers have developed a mathematical model to simulate the charge-discharge cycling of the battery, and found that hydraulic connection of electrolyte tanks is the most effective strategy to reduce capacity losses, achieving a 69% reduction.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
M. Rodriguez-Gomez, J. Campo, A. Orera, F. de La Fuente, J. Valenciano, H. Fricke, D. S. Hussey, Y. Chen, D. Yu, K. An, A. Larrea
Summary: In this study, we analysed the operando performance of industrial lead cells using neutron diffraction experiments. The experiments revealed the evolution of different phases in the positive electrode, showed significant inhomogeneity of phase distribution inside the electrode, and estimated the energy efficiency of the cells.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Jiawei Liu, Chenpeng Wang, Yue Yao, Hao Ye, Yinglong Liu, Yingli Liu, Xiaoru Xu, Zhicong Chen, Huazheng Yang, Gang Wu, Libin Lei, Chao Wang, Bo Liang
Summary: The study focuses on utilizing double conductive Ni-pads as anode collectors in micro-tubular solid oxide fuel cells. The simulation results show excellent performance and stability of DCNPs, and also highlight the potential applications in various fields.
JOURNAL OF POWER SOURCES
(2024)
Article
Chemistry, Physical
Yang Wang, Kangjie Zhou, Lang Cui, Jiabing Mei, Shengnan Li, Le Li, Wei Fan, Longsheng Zhang, Tianxi Liu
Summary: This study presents a polyimide sandwiched separator (s-PIF) for improving the cycling stability of Li-metal batteries. The s-PIF separator exhibits superior mechanical property, electrolyte adsorption/retention and ion conductivity, and enables dendrite-free Li plating/stripping process.
JOURNAL OF POWER SOURCES
(2024)
