Review
Energy & Fuels
Silvere Panisset, Monica Burriel, Jerome Laurencin, David Jauffres
Summary: Numerical models are versatile tools for studying and predicting the performance of solid oxide cells (SOCs) based on their microstructure and composition. This article reviews existing models for the oxygen electrode in SOCs and discusses the current challenges of electrode modelling, focusing on better performance and durability prediction, particularly for thin-film SOCs.
JOURNAL OF PHYSICS-ENERGY
(2023)
Article
Chemistry, Physical
Sea-Fue Wang, Yi-Le Liao, Yung-Fu Hsu, Piotr Jasinski
Summary: Three low-temperature solid oxide fuel cells with different electrode configurations were compared, with Ni particles enhancing catalytic activity and Ni-Ag electrodes leading to low TPB areas. These factors impact the maximum power density of the cells.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Jiatao Zhou, Xiaowu Hu, Jialing Li, Xiongxin Jiang
Summary: The experimental results indicate that Cu doping can improve the electrical behavior of Ni-Co alloy coatings, reduce the activation energy of electron hopping, and inhibit the growth of oxide layers. The Ni-Co coatings doped with 9% Cu showed the best oxidation rate constant and electrical properties after the oxidation process.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Electrochemistry
Mogens B. Mogensen, Ming Chen, Henrik Lund Frandsen, Christopher Graves, Anne Hauch, Peter Vang Hendriksen, Torben Jacobsen, Soren Hojgaard Jensen, Theis Loye Skafte, Xiufu Sun
Summary: The degradation mechanism of Ni-YSZ electrodes in SOCs is complex and contradictory, characterized by loss of electrical contact between Ni particles and migration of Ni in the most active part. These issues are significant obstacles to the commercialization of SOC systems.
Article
Chemistry, Physical
Taeyoung Kim, Hyong June Kim, Dohyun Go, Jeong Woo Shin, Byung Chan Yang, Gu Young Cho, Turgut M. Gur, Jihwan An
Summary: This study reports on the development and optimization of Ni-SDC films for low-temperature solid oxide fuel cell anodes. The effects of oxygen partial pressure and deposition temperature on the properties of Ni-SDC films were investigated, and increasing the deposition temperature was found to effectively suppress Ni agglomeration.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Electrochemistry
Zhufeng Ouyang, Anna Sciazko, Yosuke Komatsu, Katsuhiko Nishimura, Naoki Shikazono
Summary: In this study, the electrochemical performance and microstructure evolutions of Ni-M (M = Fe, Cu, Mn) bimetallic fuel electrodes were investigated under SOFC and SOEC operations. The results showed that the electrochemical performance of all Ni-M bimetallic fuel electrodes were lower than pure Ni electrode during SOFC tests, while the degradation rates of Ni-Fe and Ni-Mn electrodes were smaller than the others. Ni migration on YSZ surface was observed for all samples, and such Ni migration was suppressed by Fe and Mn addition, whereas it was enhanced by Cu addition. During SOEC tests, the cell performance degraded with Cu and Fe addition, but improved with Mn addition. The adhesion between Ni film and YSZ substrate was enhanced by doping Fe and Mn, which correlated well with the inhibited degradation in both fuel cell and electrolysis operations. The Ni migration phenomenon is discussed by the strength of Ni-O bond, surface tension and melting point, which are influenced by the addition of transition metal elements.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Thermodynamics
Baofeng Tu, Xiaojing Wang, Huiying Qi, Peng Qiu, Tonghuan Zhang, Shuna Han, Di Liu, Xin Su, Mojie Cheng, Daan Cui, Yanxia Yin
Summary: The effect of iso-octane pretreatment on the efficiency of solid oxide fuel cell (SOFC) was investigated in this study. The oxidation index and equivalent fuel utilization for SOFC with pure iso-octane and pre-treated iso-octane as fuel were designed. The results showed that steam reforming of iso-octane has little effect on the efficiency of SOFC. The electrical efficiency of SOFC using steam reforming of iso-octane was found to be higher than that with autothermal reforming of iso-octane and catalytic partial oxidation of iso-octane.
APPLIED THERMAL ENGINEERING
(2024)
Article
Materials Science, Multidisciplinary
Jung Hoon Park, Jong-Ho Lee, Kyung Joong Yoon, Hyoungchul Kim, Ho-Il Ji, Sungeun Yang, Sangbaek Park, Seung Min Han, Ji-Won Son
Summary: By reducing the Ni content to 2 vol% and uniformly dispersing nano-sized Ni particles in a mixed ionic-electronic conducting matrix using a thin-film technique, remarkable stability and performance enhancement were achieved for the optimized nanostructured anodes. The study provides valuable insights for improving the durability, performance, and productivity of SOFCs.
Article
Chemistry, Physical
Bernardo Serodio F. Costa, Blanca I. Arias-Serrano, Aleksey A. Yaremchenko
Summary: A series of strontium titanates-vanadates (STVN) were synthesized and studied as potential fuel electrode materials for solid oxide fuel cells. By controlling the sintering temperature and adding elements, the electrochemical performance of the materials was improved.
Article
Chemistry, Physical
Ewelina Urbanczyk, Marta Wala, Agata Blacha-Grzechnik, Agnieszka Stolarczyk, Artur Maciej, Wojciech Simka
Summary: This study presents a simple method for preparing electrocatalytic materials for methanol oxidation, utilizing a composite of nickel, cobalt, and graphene. Electrodes prepared through an electrochemical deposition process exhibited stable performance and optimal results were achieved with a specific current density, showing promising catalytic properties for methanol electrooxidation.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Sangwon Lee, Jeong Hwa Park, Kang Taek Lee, Young-Wan Ju
Summary: A Ni-Fe fiber anode was designed and fabricated by electrospinning, showing improved anodic activity and resistance to metallic particle coarsening compared to traditional Ni-Fe spherical powder. Single cells using this fiber anode demonstrated higher maximum power densities and lower resistance, suggesting that the introduction of Ni-Fe fiber anode in SOFCs is an effective approach to enhance power generation properties and stability.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Electrochemistry
Anna Sciazko, Yosuke Komatsu, Takaaki Shimura, Naoki Shikazono
Summary: The study presents a framework for automatically segmenting large 3-D datasets of microscopic images using a deep neural network, achieving strong results in microstructure analysis. The proposed automatic patch-CNN microstructure reconstruction significantly reduces image processing time. The suggested CNN can also serve as an artificial pore-infiltration technique, aiding in sample reconstruction with improved accuracy.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Review
Materials Science, Ceramics
Teruhisa Horita
Summary: This paper discusses the crucial challenge of prolonged durability in Solid Oxide Fuel Cell systems, focusing on volatile chromium species poisoning. Through chemical reactions and electrochemical reduction, the interactions between perovskite oxide cathode surface and volatile Cr species are studied. The paper proposes solutions and analyzes recovery mechanisms, providing insights for new material combinations in next-generation SOFCs.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Ceramics
Yiqian Jin, Xingyu Xiong, Guozheng Hao, Mengyuan Guo, Wangshu Hao, Jiaqi Sheng, Zhibin Yang, Suping Peng
Summary: A series of Ce-doped coatings (Mn1.5-xCo1.5-xCe2xO4+delta, x = 0, 0.025, 0.05, and 0.1) were prepared to improve the electrical conductivity of solid oxide fuel cell (SOFC) interconnect coatings. Experimental results showed that Ce doping effectively reduced the area-specific resistance of the coatings. However, excessive Ce doping led to more structural defects and weakened the oxidation resistance of the coatings.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Bora Timurkutluk, Yelda Ciflik, Tolga Altan, Omer Genc
Summary: This study synthesized the microstructures of solid oxide fuel cell (SOFC) electrodes and computed the effects of the mean particle size and volume fraction of each phase on three/triple phase boundaries (TPBs). The results showed that the active and total TPB density decreased with increasing mean particle size, but were inversely related to the square of the mean particle size for particles with equal volume fraction. Furthermore, the active TPB density was strongly dependent on the volume fraction of the phase with the highest mean particle size when the volume fractions were varied.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Joseph M. Wofford, Shu Nie, Konrad Thuermer, Kevin F. McCarty, Oscar D. Dubon
Article
Materials Science, Multidisciplinary
A. Quesada, M. Monti, I. P. Krug, N. Rougemaille, F. Nickel, D. M. Gottlob, H. Doganay, A. T. N'Diaye, G. Chen, A. Serrano, K. F. McCarty, J. F. Fernandez, C. M. Schneider, A. K. Schmid, J. de la Figuera
Article
Materials Science, Multidisciplinary
D. A. Siegel, F. El Gabaly, K. F. McCarty, N. C. Bartelt
Article
Multidisciplinary Sciences
Paul C. Rogge, Konrad Thuermer, Michael E. Foster, Kevin F. McCarty, Oscar D. Dubon, Norman C. Bartelt
NATURE COMMUNICATIONS
(2015)
Article
Materials Science, Multidisciplinary
P. C. Rogge, M. E. Foster, J. M. Wofford, K. F. McCarty, N. C. Bartelt, O. D. Dubon
MRS COMMUNICATIONS
(2015)
Article
Nanoscience & Nanotechnology
Yufeng Hao, Lei Wang, Yuanyue Liu, Hua Chen, Xiaohan Wang, Cheng Tan, Shu Nie, Ji Won Suk, Tengfei Jiang, Tengfei Liang, Junfeng Xiao, Wenjing Ye, Cory R. Dean, Boris I. Yakobson, Kevin F. McCarty, Philip Kim, James Hone, Luigi Colombo, Rodney S. Ruoff
NATURE NANOTECHNOLOGY
(2016)
Article
Physics, Applied
Yanan Wang, Zhihua Su, Wei Wu, Shu Nie, Nan Xie, Huiqi Gong, Yang Guo, Joon Hwan Lee, Sirui Xing, Xiaoxiang Lu, Haiyan Wang, Xinghua Lu, Kevin McCarty, Shin-shem Pei, Francisco Robles-Hernandez, Viktor G. Hadjiev, Jiming Bao
APPLIED PHYSICS LETTERS
(2013)
Article
Physics, Applied
H. S. Mok, A. Ebnonnasir, Y. Murata, S. Nie, K. F. McCarty, C. V. Ciobanu, S. Kodambaka
APPLIED PHYSICS LETTERS
(2014)
Article
Chemistry, Physical
Kevin F. McCarty, Matteo Monti, Shu Nie, David A. Siegel, Elena Starodub, Farid El Gabaly, Anthony H. McDaniel, Andrey Shavorskiy, Tolek Tyliszczak, Hendrik Bluhm, Norman C. Bartelt, Juan de la Figuera
JOURNAL OF PHYSICAL CHEMISTRY C
(2014)
Article
Chemistry, Multidisciplinary
P. C. Rogge, S. Nie, K. F. McCarty, N. C. Bartelt, O. D. Dubon
Article
Multidisciplinary Sciences
Lei Liu, David A. Siegel, Wei Chen, Peizhi Liu, Junjie Guo, Gerd Duscher, Chong Zhaog, Hao Wang, Wenlong Wang, Xuedong Bai, Kevin F. McCarty, Zhenyu Zhang, Gong Gu
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2014)
Article
Multidisciplinary Sciences
Lei Liu, Jewook Park, David A. Siegel, Kevin F. McCarty, Kendal W. Clark, Wan Deng, Leonardo Basile, Juan Carlos Idrobo, An-Ping Li, Gong Gu
Article
Chemistry, Physical
J. de la Figuera, K. F. McCarty, N. C. Bartelt
Correction
Nanoscience & Nanotechnology
Yufeng Hao, Lei Wang, Yuanyue Liu, Hua Chen, Xiaohan Wang, Cheng Tan, Shu Nie, Ji Won Suk, Tengfei Jiang, Tengfei Liang, Junfeng Xiao, Wenjing Ye, Cory R. Dean, Boris I. Yakobson, Kevin F. McCarty, Philip Kim, James Hone, Luigi Colombo, Rodney S. Ruoff
NATURE NANOTECHNOLOGY
(2016)
Article
Materials Science, Multidisciplinary
B. Santos, M. Rybicki, I. Zasada, E. Starodub, K. F. McCarty, J. I. Cerda, J. M. Puerta, J. de la Figuera
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)