Article
Chemistry, Physical
Avishek Maity, Rajesh Dutta, Oles Sendtskyi, Monica Ceretti, Angelique Lebranchu, Dmitry Chernyshov, Alexei Bosak, Werner Paulus
Summary: Solid-state oxygen ion conductors with enhanced oxygen mobility at intermediate temperatures have been developed, but materials with high oxygen diffusion at room temperature are still rare. Single-crystalline Pr2NiO4+delta electrodes show remarkably high oxygen diffusion under ambient conditions, indicating the unexplored potential of single crystals as stand-alone electrodes for high-throughput solid oxygen ion conductors.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Guangdong Li, Yunjie Gou, Rongzheng Ren, Chunming Xu, Jinshuo Qiao, Wang Sun, Zhenhua Wang, Kening Sun
Summary: This study aims to improve the electrochemical activity of the traditional triple conducting oxide Pr2NiO4+delta by introducing F-, which enhances the hydratability and protonic conductivity of the material. Experimental results show that the designed material exhibits excellent performance in both fuel cell and electrolysis modes.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Physical
Klaasjan Maas, Chloe Wulles, Jose Manuel Caicedo Roque, Belen Ballesteros, Valentin Lafarge, Jose Santiso, Monica Burriel
Summary: Depositing LaNiO3/La2NiO4 bilayers under different pO(2) conditions can significantly affect the electrical behavior of Pt/LaNiO3/La2NiO4/Pt devices. The devices deposited at low pO(2) exhibit the largest memristance, which is attributed to the formation of a p-type Schottky contact between LaNiO3 and La2NiO4. The extent of carrier depletion width in the contact can be modulated by the electric-field induced drift of interstitial oxygen ions acting as mobile acceptor dopants in La2NiO4.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Avishek Maity, Rajesh Dutta, Anna Marsicano, Andrea Piovano, J. Ross Stewart, Werner Paulus
Summary: The study found that the magnetic excitations of Pr2NiO4+delta at 10K exhibit spin stripe ordering, which becomes pronounced below 220K. Additionally, the influence of interstitial oxygen on establishing long-range spin stripe ordering is identified.
Article
Chemistry, Physical
Sergey V. Naumov, Maxim I. Vlasov, Elena Yu. Pikalova, Victor A. Tsvinkinberg, Olga G. Reznitskikh, Elena A. Filonova
Summary: Neodymium nickelates Nd2Ni1-xO4+delta with a wide range of Ni non-stoichiometry (x=0.0-0.08) are synthesized and their properties are studied. The XRD data shows that the materials in the x range of 0.0-0.06 have a single-phase orthorhombic structure with a Fmmm space group. TGA-DSC studies reveal that the phase transition temperature does not depend on Ni non-stoichiometry. Raman scattering studies show that at low Ni deficiency the Raman spectra are typical for the Ni-stoichiometric oxidized Nd2NiO4+(delta), while at x=0.06, lattice disorder and octahedral distortions reach a maximum feasibility.
SOLID STATE IONICS
(2023)
Article
Chemistry, Physical
E. Deronzier, T. Chartier, P-M Geffroy
Summary: This study focused on evaluating the oxygen semi-permeation performances of Ba1-xSrxFeO3-delta perovskite membranes, finding that the best performance was achieved with Ba0.9Sr0.1FeO3-delta perovskite membranes. The oxygen diffusion and desorption coefficients were determined for a better understanding of oxygen transport through these membranes with different Sr and Ba contents.
SOLID STATE IONICS
(2021)
Article
Chemistry, Physical
R. K. Lenka, P. K. Patro, Vivek Patel, L. Muhmood, T. Mahata
Summary: This study extensively investigates the functional properties of Nd2NiO4+delta based materials doped with different alkaline earth metal ions for SOFC applications. Results show that at high temperatures, materials doped with Ca and Sr exhibit higher electrical conductivity compared to undoped materials.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Energy & Fuels
Yong Li, Kai Zhang, Yihui Pan, Fuqian Yang
Summary: In this paper, an anisotropic chemo-mechanical model is proposed to analyze the anisotropic expansion and stress generation in crystalline silicon electrodes. By considering the anisotropic characteristics of physical properties of crystalline silicon, the model determines orientation-dependent elastic constants, diffusion coefficients, and partial molar volumes. Numerical analysis of lithiated silicon nanopillars demonstrates that the cross section evolves differently for [110] and [111] orientations, in agreement with experimental observations. The results also suggest that anisotropic expansion can reduce stress in [110]-oriented silicon nanopillars, thus mitigating mechanical degradation.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Multidisciplinary
Yang Ni, Songbo Li, Shengli An, Xu Du, Liangmei Xue
Summary: In this study, Ln2-xYxCuO4+6 (Ln = Pr, Nd, Sm; x = 0, 0.025, 0.05, 0.1) cathode materials were synthesized using a sol-gel method and calcination at 1000°C for 24 h. The phase structure, coefficient of thermal expansion (CTE), electrical conductivity, and electrochemical impedance of the cathode materials were characterized. The results showed that Y3+ doping in Ln2CuO4+6 reduced the thermal expansion and increased the conductivity of the material, with Pr1.975Y0.025CuO4+6 showing the highest conductivity of 256 S·cm−1 at 800°C. The AC impedance test demonstrated that Y3+ doping decreased the polarization impedance of Ln2CuO4+6, with Pr1.9Y0.1CuO4+6 having the lowest area-specific resistance (ASR) of 0.204 Ω·cm2 at 800°C. Therefore, Pr1.975Y0.025CuO4+6 was determined to be the most suitable cathode material for a solid oxide fuel cell (SOFC).
Article
Chemistry, Multidisciplinary
Tim Fricke, Stefan G. Ebbinghaus
Summary: Single crystals of Ba1-xSrxFe12O19 with different Sr doping levels were successfully grown using a Na2CO3 flux. The crystals had a hexagonal plate-like structure and exhibited pronounced (thermo)mechanical anisotropy and magnetic anisotropy.
Article
Chemistry, Multidisciplinary
Ruben De Barros, Monica Ceretti, Wolfgang Schmidt, Vladimir Y. Pomjakushin, Werner Paulus
Summary: This work reports the growth and characterization of high-quality La2CoO4.25 single crystals for studying oxygen and electronic ordering phenomena. The crystals were grown without the addition of a solvent using the traveling solvent floating zone method. Post-synthesis annealing and various characterization techniques were used to confirm the composition, homogeneity, and crystalline quality of the crystals. The results revealed a complex structure and magnetic behavior involving oxygen ordering and antiferromagnetic ordering with a Neel temperature of 36K.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Physics, Applied
Tsukasa Katayama, Kento Magara, Akira Chikamatsu, Tetsuya Hasegawa
Summary: The proton conductive properties of perovskite oxides have attracted attention for various applications. Two-dimensional proton conduction was theoretically predicted in the double-perovskite GdBaCo2O5.5 with a specific Gd/Ba order. The anisotropic proton conductivity was experimentally confirmed in GdBaCo2O5.5 epitaxial films, showing slower conductivity along the Gd/Ba order due to the hindrance from BaO planes with large Ba2+ ions.
APPLIED PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Emir Dogdibegovic, Yudong Wang, Christopher J. Wright, Xiao-Dong Zhou
Summary: Pr2NiO4 (PNO) is an active oxygen electrode for solid oxide cells, but its phase transformation at high temperatures has been a concern. This article investigates the retained activity and performance stability of PNO electrodes. In-situ synchrotron studies and high-resolution transmission electron microscopy analysis reveal the presence of nickelate nanoclusters in the electrode, which explain the retained activity during phase transformation.
Article
Electrochemistry
Roselyne Jeanne-Brou, Jonathan Deseure, Trang N. T. Phan, Renaud Bouchet, Didier Devaux
Summary: Solid polymer electrolytes based on dry poly(ethylene oxide) offer stability, mechanical properties, and flexibility for solid-state lithium batteries. Optimizing ionic conductivity involves understanding the relationship between the electrolyte's nature and architecture and the in-plane ionic transport properties. Different local mechanisms contribute to ionic transport, and distinguishing cationic and anionic mechanisms is necessary. This study determines the in-plane ionic conductivities, transference numbers, and diffusion coefficients of various SPEs and explores their hindered anionic transport.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Analytical
Daniel F. Kienle, Daniel K. Schwartz
Summary: In this study, the diffusion of small charged molecules in anisotropic polyelectrolyte multilayers was tracked in three dimensions using single-molecule fluorescence localization and Forster resonance energy transfer. The results showed a significantly slower diffusion in the surface-normal direction compared to lateral diffusion, which was hypothesized to be related to the periodic distribution of charge in the multilayer.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Alexander Stangl, Adeel Riaz, Laetitia Rapenne, Jose Manuel Caicedo, Juan de Dios Sirvent, Federico Baiutti, Carmen Jimenez, Albert Tarancon, Michel Mermoux, Monica Burriel
Summary: La2NiO4 thin film electrodes with a nano-architectured structure exhibit enhanced oxygen exchange activity, achieved by tailoring morphology to vertically gapped columns. The increased surface area and opening of different surface terminations significantly enhance the total exchange activity in the films.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Charlotte Croise, Khaled Alabd, Sophie Tence, Etienne Gaudin, Antoine Villesuzanne, Xavier Courtois, Nicolas Bion, Fabien Can
Summary: This study investigates the influence of rare-earth (R) element in Ru/RScSi electride-like intermetallic catalysts for ammonia synthesis under mild conditions. The catalytic performances follow the lanthanides series and appear correlated with the formation of the hydride phase. Ru-1.7/CeScSi shows remarkable catalytic activity associated with its reversible hydrogen storage-release properties. It is suggested that NHX formation could be the rate determining step rather than the N-2 cleavage over these catalysts.
Article
Chemistry, Physical
Maria Poienar, Matthias Josef Gutmann, Gheorghe Lucian Pascut, Vaclav Petricek, Gavin Stenning, Paulina Vlazan, Paula Sfirloaga, Carsten Paulmann, Martin Tolkiehn, Pascal Manuel, Philippe Veber
Summary: In this paper, a new synthesis method for mixed valence iron phosphate is reported, and temperature-dependent measurements of structural and physical properties are performed to understand the electronic-structural interplay in this compound. The results show that a structural phase transition and electronic ordering occur at a temperature similar to 213K, and three-dimensional antiferromagnetic ordering is observed at low temperatures.
Article
Crystallography
Maria Poienar, Paula Svera, Bogdan-Ovidiu Taranu, Catalin Ianasi, Paula Sfirloaga, Gabriel Buse, Philippe Veber, Paulina Vlazan
Summary: In this study, Ni-11(HPO3)(8)(OH)(6) materials with catalytical and fluorescence properties were synthesized through a hydrothermal approach. The electrode modified with reduced graphene oxide, carbon black, and nickel phosphite exhibited the highest current density, attributed to the synergistic effect between the nickel phosphite and carbon materials. The investigation of the electrode's oxygen evolution reaction performance revealed promising results, and fluorescence properties were analyzed at an excitation length of 344 nm.
Article
Chemistry, Multidisciplinary
Alexander Stangl, Dolors Pla, Caroline Pirovano, Odette Chaix-Pluchery, Federico Baiutti, Francesco Chiabrera, Albert Tarancon, Carmen Jimenez, Michel Mermoux, Monica Burriel
Summary: A novel in situ methodology using Raman spectroscopy coupled to isothermal isotope exchanges is developed for studying mass-transport properties in oxides with unprecedented time resolution. The method provides real-time monitoring of isotope concentration changes through Raman frequency shift, offering complementary insights for understanding ion-transport properties in advanced solid-state electrochemical devices. The results obtained through isotope exchange Raman spectroscopy (IERS) are in good agreement with conventional characterization methods, while providing additional insights, challenging established assumptions. The versatility, simplicity, and cost-effectiveness of IERS make it a promising tool for in situ and operando characterization in various fields.
ADVANCED MATERIALS
(2023)
Article
Electrochemistry
L. Guesnet, E. Bonnet, J. -m. Heintz, E. Chadourne, J. -c. Grenier, T. Chartier, P. -m. Geffroy, J. -m. Bassat
Summary: This study successfully sintered Pr6O11, a recently developed promising oxygen electrode for Solid Oxide Cells (SOCs). Dense pellets or thin films were used to accurately measure the ionic transport properties via the isotopic oxygen exchange method. Dilatometry experiments and sintering tests with different thermal cycles resulted in overcoming phase changes and achieving a sintered relative density of 95% for Pr6O11. The ionic transport properties of Pr6O11 were determined through Isotopic Exchange Depth Profiling (IEDP) measurements in the temperature range of 400 < T degrees C < 800.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Sumit Ranjan Maity, Monica Ceretti, Lukas Keller, Jurg Schefer, Bertrand Roessli, Uwe Stuhr, Christof Niedermayer, Werner Paulus
Summary: Nd2NiO4+delta is a nonstoichiometric oxide with a complex structural phase diagram. The excess oxygen atoms affect the Ni valence state and electronic structure. In highly oxygen-doped Nd2NiO4+delta, a correlated incommensurate structural and antiferromagnetic order is observed. The magnetic unit cell is doubled along the c axis due to the enhancement of magnetic correlations.
PHYSICAL REVIEW MATERIALS
(2023)
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
M. Gerin, D. Machon, S. Radescu, S. Le Floch, Y. Le Godec, T. Gaudisson, F. Alabarse, P. Veber, R. Debord, D. Amans, V. Pischedda
Summary: The high-pressure behavior of Si0.8Ge0.2 alloy is explored using in situ Raman spectroscopy, X-ray diffraction techniques, and density functional theory (DFT) simulations. It was found that the alloy undergoes pressure-induced transitions from the stable cubic semiconducting phase to the tetragonal beta-tin metallic phase during compression. Upon decompression, successive transitions towards metastable phases are observed. This research is important for understanding the effects of alloying on physical properties and for potential applications in optoelectronics.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Zijie Sha, Gwilherm Kerherve, Matthijs A. van Spronsen, George E. Wilson, John A. Kilner, Georg Held, Stephen J. Skinner
Summary: A study investigated the surface reactions and composition of a mixed ionic and electronic conducting perovskite oxide. The results showed that the surface lattice oxygen is the significant redox active species, rather than the transition metal cations. The study also observed higher concentrations of surface oxygen vacancies and the formation of hydroxyl groups in water vapor. Furthermore, the study found that the concentration of Sr surface species increased over time in dry oxygen, while less Sr contents were observed in water vapor. The findings provide crucial understanding for the design and performance of electrocatalytic electrodes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
A. Perrichon, A. Piovano, M. Boehm, M. H. Lemee, M. Ceretti, W. Paulus
Summary: The lattice dynamics of oxygen-doped Nd2NiO4+delta were studied using single-crystal neutron spectroscopy, ab initio molecular dynamics (AIMD), and harmonic phonon calculations. The AIMD-computed inelastic response matched better with the experimental inelastic neutron spectra than the harmonic phonon calculations. The presence of extra oxygen in interstitial sites led to significant differences in the system's dynamics compared to the stoichiometric parent compound, including the detection of a nondispersive scattering signal and enhanced anharmonic displacements.
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
Zijie Sha, Zonghao Shen, Eleonora Cali, John A. A. Kilner, Stephen J. J. Skinner
Summary: The effect of operating conditions on the surface composition and evolution of a perovskite oxide, (La0.8Sr0.2)(0.95)Cr0.5Fe0.5O3-delta (LSCrF8255), was investigated. Different environments were used to analyze the perovskite materials' applications as electrodes in electrochemical energy conversion devices. A variety of surface characterization techniques were employed, and the results showed that the operating conditions had a significant impact on surface segregation and phase separation.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Mohamed Ikbal Houchati, Hela Ferjani, Youssef Ben Smida, Abderrazek Oueslati, Nassira Chniba-Boudjada, Oscar Fabelo, Jean-Francois Bardeau, Werner Paulus, Monica Ceretti, Ahmed Hichem Hamzaoui
Summary: In this work, a new zero-dimensional lead bromide hybrid material was prepared and its properties were analyzed. The material exhibited advantageous crystal structure, optical properties, and electrical conductivity which make it suitable for various applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Materials Science, Multidisciplinary
Constance Toulouse, Danila Amoroso, Robert Oliva, Cong Xin, Pierre Bouvier, Pierre Fertey, Philippe Veber, Mario Maglione, Philippe Ghosez, Jens Kreisel, Mael Guennou
Summary: In this paper, the high pressure behavior of BaZrO3 is reexamined using first-principle calculations, Raman spectroscopy and x-ray diffraction. The cubic-to-tetragonal transition at 10 GPa is experimentally confirmed, while no evidence for other phase transitions is found up to 45 GPa, contradicting past reports. Density functional theory calculations show that the tetragonal phase becomes more stable with increasing pressure compared to phases with more complex tilt systems, ruling out the possibility of a second transition to another tilted phase at higher pressures, particularly the common orthorhombic Pnma structure.
