Article
Chemistry, Physical
Nianjun Hou, Juanjuan Gan, Qisheng Yan, Yicheng Zhao, Yongdan Li
Summary: The study demonstrates that fluorine doping on the perovskite La0.5Ba0.5FeO3-δ anode material can accelerate oxygen surface exchange steps and improve the power density of solid oxide fuel cells, enhancing short-term stability.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Physical
Amit Das, Sunil Kumar, Biswajit Jana, Madireddy Buchi Suresh, Chalavadi Prashanthi, Shobit Omar
Summary: The electrochemical performance of porous composites of Gd0.1Ce0.9O2-delta/SrMg0.1Mo0.9O3-delta for the anode application in solid oxide fuel cells (SOFCs) was investigated. The performance was improved by optimizing the microstructure, thickness, and composition of the composite electrode.
ACS APPLIED ENERGY MATERIALS
(2022)
Review
Chemistry, Physical
Meagan Papac, Vladan Stevanovi, Andriy Zakutayev, Ryan O'Hayre
Summary: Triple ionic-electronic conductors (TIECs) have potential applications in various electrochemical devices, but further research is needed to fully understand their transport properties and electrocatalytic activity. Current studies focus on defect formation and conduction mechanisms in single-phase materials. By exploring criteria for discovery, design principles, and operating conditions, it is possible to intentionally adjust the conductivity of each charge carrier.
Review
Chemistry, Physical
Ainaa Nadhirah Zainon, Mahendra Rao Somalu, Audi Majdan Kamarul Bahrain, Andanastuti Muchtar, Nurul Akidah Baharuddin, S. A. Muhammed Ali, Nafisah Osman, Abdullah Abdul Samat, Abul Kalam Azad, Nigel P. Brandon
Summary: Solid oxide fuel cells (SOFCs) generate high-efficiency electrical power through the electrochemical reaction of fuel with air. However, the conventional Ni-based anodes face challenges and limitations when using various types of fuels. Therefore, it is crucial to discover alternative anodes or modify existing ones to overcome these challenges and limitations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Timurkutluk Cigdem, Sezer Onbilgin, Bora Timurkutluk, Ibrahim Pamuk
Summary: This study investigates the effects of pore formers added into the extrusion slurry of anode support microtubes on their mechanical and electrochemical performance. Experimental results show that the flexural strength of the microtubes decreases with increasing particle size and pore former content. Electrochemical tests indicate that the cell performance is mainly limited by diffusion polarization. The highest cell performance is achieved with a certain pore former content of graphite (325 mesh) for all temperatures and hydrogen flowrates tested. Optimization studies suggest that further improvement in cell performance can be achieved by increasing the pore former content.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Energy & Fuels
Masashi Kishimoto, Shohei Kishida, Haewon Seo, Hiroshi Iwai, Hideo Yoshida
Summary: A novel numerical methodology is proposed for predicting the electrochemical characteristics of a practical-size solid oxide fuel cell (SOFC). The method involves dividing the cell into independent one-dimensional unit cells and evaluating the cell's performance based on the performance of local unit cells. By constructing a database of unit cell performance and using theoretical expressions, the method accurately predicts the macroscopic characteristics of the entire cell.
Article
Chemistry, Physical
Liyuan Fan, Anatoli Mokhov, S. Ali Saadabadi, Nigel Brandon, Purushothaman Vellayani Aravind
Summary: This study experimentally investigated the influence of operation temperature, inlet gas composition, current density, and anode thickness on the methane steam reforming reaction over nickel yttria-stabilized zirconia anodes in solid oxide fuel cells. The results were analyzed using two kinetic models, with positive methane reaction order and negative impact of steam partial pressure on the reaction rate being observed. The evaluation of the models suggested that the Langmuir-Hinshelwood kinetic model performed better due to its additional parameters.
JOURNAL OF POWER SOURCES
(2021)
Article
Engineering, Chemical
Chengyi Ai, Tingting Li, Rongzheng Ren, Zhenhua Wang, Wang Sun, Jinsheng Feng, Kening Sun, Jinshuo Qiao
Summary: The novel proton conducting solid oxide fuel cell (H-SOFC) shows good oxygen reduction reaction activity and enhanced electrochemical performance through the investigation of the K2NiF4-type cathode material Pr2-xBaxNi0.6Cu0.4O4+delta, with increased electrical conductivity, oxygen vacancy concentration and proton conductivity, achieving a high peak power density at 750 degrees Celsius.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Physical
Gjorgji Nusev, Bertrand Morel, Julie Mougin, Dani Juricic, Pavle Boskoski
Summary: This study investigates the internal condition of a 6-cell solid oxide fuel cell stack during a 3600-hour test with short fuel starvation intervals, analyzing the relationship between condition changes, impedance spectra, and equivalent circuit model parameters. Features indicating reduced fuel supply are identified.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Multidisciplinary
Oleg Gorobtsov, Yumeng Song, Kevin Fritz, Daniel Weinstock, Yifei Sun, Dina Sheyfer, Wonsuk Cha, Jin Suntivich, Andrej Singer
Summary: This study investigates the in situ and 3D nanoscale dynamics of proton-conducting solid oxide BZY during hydration at 200 degrees C for 40 hours using Bragg coherent X-ray diffractive imaging. The results reveal unexpected activity of topological defects and subsequent cracking on the nanoscale, despite the macroscopic stability. The restructuring of the crystal structure correlates with emerging regions of different lattice constants, indicating heterogeneous hydration.
Article
Chemistry, Physical
Ayesha Akter, John Pietras, Srikanth Gopalan
Summary: This paper investigates the application of a 50 mol% neodymium doped ceria (NDC50) barrier layer between the oxygen electrode and electrolyte. Compared to the GDC10 barrier layer, the NDC50 barrier layer exhibits lower polarization resistance and improved ionic conductivity across a wide range of temperature and oxygen partial pressure.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Applied
Qi Wang, Hui Fan, Yanfei Xiao, Yihe Zhang
Summary: Solid oxide fuel cells (SOFCs) are all-solid energy conversion devices that convert the chemical energy of fuels into electric energy at intermediate and high temperatures. Rare earth elements play an indispensable role in different components of SOFCs, and the structures and properties of materials are influenced by element type, valence, coordination, and ion radius.
JOURNAL OF RARE EARTHS
(2022)
Article
Chemistry, Physical
Zewei Lyu, Hangyue Li, Minfang Han, Zaihong Sun, Kaihua Sun
Summary: The commercial application of solid oxide fuel cells (SOFCs) is facing the challenge of limited lifetime and durability. This study establishes a quantitative evaluation method based on dynamic electrochemical impedance spectroscopy (DEIS) to understand the performance degradation mechanisms. The contributions of ohmic resistance and different polarization resistances are determined separately, and post-test characterization on electrode microstructures is provided to support the impedance-based analysis results.
JOURNAL OF POWER SOURCES
(2022)
Article
Thermodynamics
Jaroslaw Milewski, Arkadiusz Szczesniak
Summary: This research aims to investigate the off-design performance of H+SOFC through numerical simulations. The study focuses on the design point and off-design maps of the cell, providing useful results for selecting operational strategies for micro-CHP units based on H+SOFC.
APPLIED THERMAL ENGINEERING
(2022)
Article
Thermodynamics
Changkun Hao, Bingguo Zhao, Abdellah Essaghouri, Yuping Qian, Weilin Zhuge, Yangjun Zhang, Zezhi Zeng
Summary: In this study, a reduced-order electrochemical model is developed to predict the temperature distributions in a kilowatt-class tubular solid oxide fuel cell stack. The model can express the current density as a function of operating potential, concentration, and temperature, reducing the computational cost. The study also finds that flow characteristics affect the temperature uniformity among cells in the stack.
APPLIED THERMAL ENGINEERING
(2023)
Article
Electrochemistry
Matthaeus Siebenhofer, Ulrich Haselmann, Andreas Nenning, Gernot Friedbacher, Andreas Ewald Bumberger, Stefan Wurster, Werner Artner, Herbert Hutter, Zaoli Zhang, Juergen Fleig, Markus Kubicek
Summary: The surface morphology and chemistry changes of LSC thin films grown on different substrates were studied under SOFC operation conditions for 100 hours. The formation of particles at the LSC surface was monitored using atomic force microscopy. Different particle formation dynamics were observed depending on the thin film structure. Electron microscopy revealed that the particles were rich in Sr and S. Various measurements were performed on degraded LSC thin films, showing the presence of sulfur on the LSC surface and A-site cation enrichment. Impedance spectroscopy demonstrated an increase in polarization resistance and its activation energy for LSC grown on YSZ over the degradation period.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Christoph Riedl, Matthaeus Siebenhofer, Andreas Nenning, George E. Wilson, John Kilner, Christoph Rameshan, Andreas Limbeck, Alexander K. Opitz, Markus Kubicek, Juergen Fleig
Summary: The oxygen exchange kinetics of Pr0.1Ce0.9O2-delta electrodes were modified by decorating with submonolayer amounts of binary oxides. The OER rate and total conductivity were measured using i-PLD and changes in electrochemical properties were observed after each pulse of surface decoration. The surface chemistry of the electrodes was investigated using NAP-XPS and LEIS. The results showed that the OER rate was significantly altered by the surface decorations, but the fundamental OER mechanism was not affected.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Vedran Vonk, Alexander K. Opitz, Sergey Volkov, Thomas F. Keller, Alexander Hutterer, Pirmin Lakner, Florian Bertram, Ju''rgen Fleig, Andreas Stierle
Summary: Three different platinum oxides were observed during electrochemical potential cycles of platinum thin film model electrodes on yttria-stabilized zirconia at 702 K in air. Electron and atomic microscopy showed delamination and the formation of pyramidlike blisters on the platinum electrode. The identified oxides were an ultrathin PtOx at the buried Pt/YSZ interface, polycrystalline beta-PtO2 inside the blisters, and an ultrathin alpha-PtO2 at the Pt/air interface.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Electrochemistry
Joseph Ring, Andreas Nenning, Juergen Fleig
Summary: LLTO is a promising material in Li ion battery application due to its stable ambient and high ionic conductivity. Under high Li chemical potential, LLTO undergoes a transition from an electrolyte to a high rate capable electrode material. However, the exact voltage of this transition and the electronic conductivity of reduced LLTO were unknown. In this study, we investigated the thermodynamics of lithium insertion and the ion and electron conductivity of reduced LLTO, and proposed a defect chemical model that fits well with the experimental data.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Mattha''us Siebenhofer, Christoph Riedl, Andreas Nenning, Sergej Raznjevic, Felix Fellner, Werner Artner, Zaoli Zhang, Christoph Rameshan, Ju''rgen Fleig, Markus Kubicek
Summary: The oxygen exchange kinetics and surface chemistry of dense LSC thin films on different orientations were investigated using in-situ impedance spectroscopy and NAP-XPS. The results showed that the exchange kinetics on pristine LSC surfaces were fast and independent of orientation. However, in the presence of acidic, gaseous impurities, the (001) orientation was more susceptible to the formation of sulfate adsorbates and performance degradation. This finding has implications for solid oxide cell electrodes with porous materials.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Energy & Fuels
Dragos Neagu, J. T. S. Irvine, Jiayue Wang, Bilge Yildiz, Alexander K. Opitz, Juergen Fleig, Yuhao Wang, Jiapeng Liu, Longyun Shen, Francesco Ciucci, Brian A. Rosen, Yongchun Xiao, Kui Xie, Guangming Yang, Zongping Shao, Yubo Zhang, Jakob Reinke, Travis A. Schmauss, Scott A. Barnett, Roelf Maring, Vasileios Kyriakou, Usman Mushtaq, Mihalis N. Tsampas, Youdong Kim, Ryan O'Hayre, Alfonso J. Carrillo, Thomas Ruh, Lorenz Lindenthal, Florian Schrenk, Christoph Rameshan, Evangelos I. Papaioannou, Kalliopi Kousi, Ian S. Metcalfe, Xiaoxiang Xu, Gang Liu
Summary: In the past decade, exsolution has become a powerful method for decorating oxide supports with dispersed nanoparticles for energy and catalytic applications. Exsolved nanoparticles have set new standards in terms of activity, durability, and functionality, due to their exceptional anchorage and ability to be produced, transformed, and applied in various ways. When combined with multifunctional supports like perovskite oxides, exsolution becomes a promising platform for advanced energy materials. This review discusses the current status of exsolution and explores future research directions for its application.
JOURNAL OF PHYSICS-ENERGY
(2023)
Article
Chemistry, Physical
Matthaeus Siebenhofer, Andreas Nenning, George E. Wilson, John A. Kilner, Christoph Rameshan, Markus Kubicek, Juergen Fleig, Peter Blaha
Summary: This study investigates the effects of sulphur adsorbates and other SOFC poisons on the electronic and ionic properties of an SrO-terminated LSC surface and its oxygen exchange kinetics. Experimental and computational methods were used to analyze the surface modifications caused by the adsorbates. The results show that sulphur adsorbates strongly deactivate the LSC surface and affect oxygen vacancy formation energies. The study also reveals a correlation between work function changes and redistributed charge with the acidity of the adsorbed oxide.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Matthaeus Siebenhofer, Christoph Riedl, Andreas Nenning, Werner Artner, Christoph Rameshan, Alexander Karl Opitz, Juergen Fleig, Markus Kubicek
Summary: Minimizing the overpotential at the air electrode of solid oxide fuel cells (SOFC) is crucial for its broader application. Surface modification, including Sr decoration, can alter the oxygen exchange kinetics at SOFC cathode surfaces. However, the mechanism behind this effect is still debated. This study used in situ impedance spectroscopy to investigate the effect of Sr decorations under different deposition conditions and found opposing effects of Sr decoration depending on the deposition temperature and gas phase interactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
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)