Article
Chemistry, Physical
Nikita Rybin, Dmitry Y. Novoselov, Dmitry M. Korotin, Vladimir Anisimov, Artem R. Oganov
Summary: Based on first-principles evolutionary crystal structure prediction, two experimentally unknown stable phases in the Cu-F system were predicted, with doped CuF3 and Cu2F5 potentially showing high-T-c superconductivity with a mechanism similar to cuprates.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Multidisciplinary Sciences
Lichen Wang, Guanhong He, Zichen Yang, Mirian Garcia-Fernandez, Abhishek Nag, Kejin Zhou, Matteo Minola, Matthieu Le Tacon, Bernhard Keimer, Yingying Peng, Yuan Li
Summary: By studying two members of the model Hg family, it is found that the energy of magnetic fluctuations may limit the highest critical temperature of cuprate superconductors, providing important clues for understanding the superconducting mechanism. Furthermore, the correlation between paramagnon energy and maximal critical temperature is also confirmed in other cuprate families.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Chloe A. Fuller, James Iain Murrell, Douglas A. Blom, Thomas Vogt, Weiguo Zhang, P. Shiv Halasyamani, Ivana Radosavljevic Evans, John S. O. Evans
Summary: The Ba3-xSrxYGa2O7.5 family of perovskite-related compounds exhibits complex structural evolution and conductivity variations influenced by microstructural effects. Ba-rich samples show mixed proton and oxide ion conductivity in moist atmospheres, while Sr-rich samples act primarily as oxide ion conductors under dry conditions.
CHEMISTRY OF MATERIALS
(2022)
Article
Engineering, Chemical
Zhipeng Sun, Zilu Liu, Changkun Cai, Hong Deng, Fan Yang, Yao Lu, Xiwen Song, Shengli An, Hailei Zhao
Summary: Novel cobalt-free perovskite-type oxides have been successfully prepared and characterized for their structural stability and oxygen permeability. The cubic perovskite-type structure can be stabilized at ambient temperature, but the oxygen permeation flux is slightly decreased. The substitution of titanium for partial iron enhances the stability of the membrane against different atmospheres, but reduces oxygen permeability.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Peizhi Mai, Giovanni Balduzzi, Steven Johnston, Thomas A. Maier
Summary: By using a dynamical cluster quantum Monte Carlo approximation, this study investigated the orbital structure of the pairing interaction in the three-band Hubbard model. The research found that the interaction mainly occurs between neighboring copper orbitals, with additional weight appearing on the surrounding bonding molecular oxygen orbitals. Comparing these results to the simpler single-band Hubbard model provides strong support for the single-band framework in describing superconductivity in the cuprates.
NPJ QUANTUM MATERIALS
(2021)
Article
Chemistry, Inorganic & Nuclear
Masahiro Matsui, Kotaro Fujii, Masahiro Shiraiwa, Masatomo Yashima
Summary: The present work describes the discovery of a new oxide-ion conductor, Ca1.05Sm1.95Ge3O9.975 with a CaEu2Ge3O10-type structure. This material exhibits high electrical conductivity and oxygen transport ability.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
David Msika, Dalila Bounoua, Olivier Demortier, Francoise Damay, Romuald Saint-Martin, Rolf Heid, Alexandre Ivanov, Andrea Piovano, Frederic Bourdarot, David Berardan, Loreynne Pinsard-Gaudart, Sylvain Petit
Summary: This paper focuses on the thermal transport properties of antiferromagnetic spin chains cuprates. The spinons, chain magnetic excitations, participate in heat transport at low temperature, but spinon heat transport decays well below room temperature, possibly due to a coupling with phonons. Through inelastic neutron scattering, we extensively studied the lattice dynamics of spin chain compounds Sr2CuO3, Ca2CuO3, and double spin-chain compounds SrCuO2. We conclude that there are no obvious anomalies in the phonon dispersions, suggesting a weak spinon-phonon coupling regime.
Article
Multidisciplinary Sciences
Dan Sun, Vasily S. Minkov, Shirin Mozaffari, Ying Sun, Yanming Ma, Stella Chariton, Vitali B. Prakapenka, Mikhail Eremets, Luis Balicas, Fedor F. Balakirev
Summary: The superconductivity of LaH10 is found to be influenced by pressure and magnetic field, with lattice vibrations strongly affecting the superconducting coupling. This has important implications for understanding the superconductivity of metallic hydrogen.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Bettina Schwaighofer, Miguel Angel Gonzalez, Markus Appel, Michael Marek Koza, Ivana Radosavljevic Evans
Summary: In this study, we directly observed the dynamics of oxide ions in Bi0.852V0.148O1.648 and Bi0.852P0.148O1.648 solid electrolytes on nano- and picosecond timescales using quasielastic neutron scattering. By performing comprehensive ab initio molecular dynamics simulations, we successfully reproduced the experimental picosecond data and simulated the scattering function at different temperatures. Our analysis revealed that the picosecond dynamics involve localized motions within the V-O and P-O sublattices, while nanosecond dynamics correspond to oxide ion diffusion through vacancy-hopping in the Bi-O sublattice. The flexibility of the V coordination environment plays a crucial role in the different oxide ion migration pathways and mechanisms, consistent with the superior conductivity of the vanadate.
CHEMISTRY OF MATERIALS
(2023)
Article
Materials Science, Ceramics
Peter Fielitz, Gundula Helsch, Jessica Loeschmann, Rene Gustus, Guenter Borchardt, Joachim Deubener
Summary: In this study, the O-18 tracer diffusion data in a crystallized LAS4 glass were presented for the first time. The LAS4 glass, which is close to Li2O dot Al2O3 dot 4SiO(2) composition, is free of nucleating agents and has a low tendency to nucleate crystals. A thin ZrTiO4 layer was used to nucleate high-quartz solid solution crystallites from the surface. All samples crystallized at the early stage of diffusion annealing time, before the onset of O-18 tracer diffusion. The microstructure of the crystallized LAS glass consists of crystalline domains and a glassy phase of low viscosity in the domain boundaries, with oxygen transport occurring predominantly in the glassy phase.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Chemistry, Inorganic & Nuclear
S. S. Nikitin, O. V. Merkulov, I. A. Leonidov, M. V. Patrakeev
Summary: The study found that Nd0.25Sr0.75FeO3-δ exhibits significant oxygen conductivity at high temperatures and good stability under reducing conditions, making it a suitable functional material for high-temperature electrochemical applications.
DALTON TRANSACTIONS
(2021)
Article
Materials Science, Multidisciplinary
Peizhi Mai, Giovanni Balduzzi, Steven Johnston, Thomas A. Maier
Summary: The study utilizes determinant quantum Monte Carlo and the dynamical cluster approximation to investigate the three-band Hubbard model for the copper oxide plane in high-temperature superconducting cuprates. By analyzing the pair-field susceptibility and solving the Bethe-Salpeter equation, the research reveals the optimal charge-transfer energy value for the model to achieve the highest transition temperature to the superconducting phase. These findings have implications for understanding superconductivity in cuprates and other doped charge-transfer insulators.
Article
Chemistry, Multidisciplinary
Chloe A. Fuller, Douglas A. Blom, Thomas Vogt, Ivana Radosavljevic Evans, John S. O. Evans
Summary: Functional oxides with high ionic conductivity have important technological applications. The addition of oxide vacancies and interstitials can enhance ionic conductivity in perovskite-related compounds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Rebecca C. Vincent, Jimmy-Xuan Shen, Molleigh B. Preefer, Justin Lin, Fabian Seeler, Kerstin Schierle-Arndt, Kristin A. Persson, Ram Seshadri
Summary: Three compositions of lithium copper phosphates have been studied as potential high-voltage cathode materials for Li-ion batteries, with one of them, Li2CuPO4, requiring an assisted-microwave preparation method due to difficulties in nearly pure form. The electrochemical performance of all three compounds is poor, attributed to structural changes, irreversible reduction to metallic copper at high potentials, and potential dissolution into the electrolyte. Understanding regarding the use of copper compounds in redox electrodes is presented.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Electrical & Electronic
Zhuting Chen, Yuxin Zheng, Bo Li
Summary: A new microwave dielectric ceramic TmVO4 was synthesized using a solid-state reaction method. The crystal structure and microstructure of TmVO4 were investigated using Rietveld refinements and TEM analysis, which revealed a tetragonal zircon-type structure. The vibrational modes of TmVO4 were studied through Raman spectra. The influence of relative density and ionic polarizability on the permittivity was discussed. TmVO4 ceramic exhibited high densification and excellent microwave dielectric properties, with an ε(r) of 11.95, Q x f of 53,594 GHz, and τ(f) of -40.4 ppm/°C at 1200°C. The impact of TiO2 on the microwave dielectric properties of TmVO4 was studied, and the addition of 7wt% TiO2 resulted in a near-zero τ(f) value of 2.7 ppm/°C for the ceramic sintered at 1250°C.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Physical
Nikita S. Buryak, Dmitrii Anishchenko, Eduard E. Levin, Sergey Ryazantsev, Vlad Martin-Diaconescu, Maxim Zakharkin, Victoria A. Nikitina, Evgeny Antipov
Summary: High-voltage extraction of sodium ions can increase specific energy but leads to capacity decrease and hysteresis. Electrochemical and structural analysis explain the degradation of Na4MnV(PO4)(3), which is mainly attributed to phase transformation and changes in the local environment.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Physical
Ruslan R. Samigullin, Oleg A. Drozhzhin, Evgeny Antipov
Summary: The thermal stability of cathode and anode materials for Li-ion and Na-ion batteries was studied using differential scanning calorimetry and ex situ powder X-ray diffraction. The results showed that the thermal stability of Na-ion cathode materials increases in the order NFM < NVPF < NVP < NVPO. The heat on energy term was proposed and analyzed for all studied materials.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Oleg A. Drozhzhin, Vitalii A. Shevchenko, Zoia Bobyleva, Anastasia M. Alekseeva, Evgeny Antipov
Summary: This work focuses on the experimental screening of selected electrolytes for high-voltage Li-ion batteries. The study evaluates the stability and performance of different solutions and finds that the concentrated LiPF6 in EC:DEC:DMC = 1:1:1 shows the best stability and low SEI resistance.
Article
Electrochemistry
N. Lyskov, M. Z. Galin, Ph S. Napol'skii, G. N. Mazo
Summary: The influence of the surface topology of the Ce0.9Gd0.1O1.95 solid electrolyte, formed by laser processing, on the electrochemical activity of the Pr1.95La0.05CuO4 cathode material in oxygen reduction reaction is studied. The ordered columnar structure with a relief profile depth of approximately 11-12 μm is found to be the most preferable for achieving higher electrochemical activity.
RUSSIAN JOURNAL OF ELECTROCHEMISTRY
(2022)
Article
Chemistry, Physical
Aleksandra A. Savina, Anatolii V. Morozov, Ivan A. Moiseev, Anton O. Boev, Dmitry A. Aksyonov, Leiting Zhang, Polina A. Morozova, Victoria A. Nikitina, Egor M. Pazhetnov, Erik J. Berg, Stanislav S. Fedotov, Jean-Marie Tarascon, Evgeny V. Antipov, Artem M. Abakumov
Summary: Due to the excellent discharge capacity provided by oxygen redox activity, Li-rich layered oxide positive electrode materials have attracted great attention. However, there is still no consensus regarding the role of ionocovalency of transition metal-oxygen chemical bonding in the reversibility of oxygen redox and the local crystal and electronic structure transformations. In this study, we successfully manipulated the cationic/anionic redox contributions to the overall electrochemical activity and investigated the importance of enhancing the covalency of the TM-O bonding for anchoring the reversibility of the charge compensation mechanism.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
S. Ya. Istomin, A. V. Morozov, N. V. Lyskov, S. M. Kazakov, E. V. Antipov
Summary: In this study, the high-temperature thermal expansion and electrical conductivity properties of cuprate materials were investigated, and their applicability as cathode materials for solid-oxide fuel cells was evaluated. The results showed that these materials exhibit certain thermal expansion and electrical conductivity at high temperatures, but their applicability is limited due to the trapping effect of ions on the main charge carriers.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Electrochemistry
K. A. Dosaev, S. Ya. Istomin, D. A. Strebkov, G. A. Tsirlina, E. V. Antipov, E. R. Savinova
Summary: Using RDE and CV techniques, electrochemical behavior of different AMn2O4 spinel oxides in an alkaline solution, especially in the ORR, was studied. Surface modifications were observed on the studied spinels (except for MgMn2O4) during potential cycling, contact with alkaline solution, and electrode preparation. Mn3O4 spinel showed the strongest surface modifications due to the presence of easily oxidizable and unstable Mn(II). This work highlights the importance of degradation processes on the electrochemical characteristics of materials in the field of electrocatalysis.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Sergey A. Malyshev, Oleg A. Shlyakhtin, Alexey S. Loktev, Galina N. Mazo, Grigoriy M. Timofeev, Igor E. Mukhin, Roman D. Svetogorov, Ilya Roslyakov, Alexey G. Dedov
Summary: The role of R2O3 in metal-oxide catalysts derived from complex oxide precursors was studied. The orthorhombic distortion of R1.5Ca0.5NiO4 structure was found to be related to the ionic radii, and the morphology and activity of the catalysts obtained through reduction reaction were also influenced by the R2O3 component.
Article
Chemistry, Physical
Zoya V. Bobyleva, Oleg A. Drozhzhin, Anastasia M. Alekseeva, Kirill A. Dosaev, Georgy S. Peters, Grigorii P. Lakienko, Tatiana I. Perfilyeva, Nikita A. Sobolev, Konstantin I. Maslakov, Serguei V. Savilov, Artem M. Abakumov, Evgeny V. Antipov
Summary: This study comprehensively explores the pretreatment of phenol-treated hard carbon anode materials and their impact on electrochemical performance. The results show that the conditions of the pretreatment step have a significant influence on the microstructure and electrochemical performance of the hard carbon.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Nellie R. Khasanova, Rodion V. Panin, Ilia R. Cherkashchenko, Maxim V. Zakharkin, Daniil. A. Novichkov, Evgeny V. Antipov
Summary: The NASICON-type NaNbV(PO4)(3) electrode material synthesized by the Pechini sol-gel technique undergoes a reversible three-electron reaction in a Na-ion cell, providing a reversible capacity of 180 mAh·g(-1). The structural characterization reveals the reversible evolution of the NaNbV(PO4)(3) framework during cycling, and XANES measurements confirm the multielectron transfer during sodium intercalation/extraction. This electrode material demonstrates extended cycling stability and excellent rate capability, making it suitable for high-power and long-life sodium-ion batteries.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Vitalii A. Shevchenko, Iana S. Glazkova, Daniil A. Novichkov, Irina Skvortsova, Alexey V. Sobolev, Artem M. Abakumov, Igor A. Presniakov, Oleg A. Drozhzhin, Evgeny V. Antipov
Summary: Sodium-ion batteries using O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide as positive electrodes have restricted electrochemical performance due to the voltage limit of 4.0 V. Further reduction of sodium content leads to capacity degradation. The study presents the redox transitions occurring during charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2.
CHEMISTRY OF MATERIALS
(2023)
Article
Energy & Fuels
Ruslan R. Samigullin, Maxim V. Zakharkin, Oleg A. Drozhzhin, Evgeny V. Antipov
Summary: The thermal stability of NASICON-type cathode materials for sodium-ion batteries was investigated using DSC and in situ HTPXRD. Analysis of Na3V2(PO4)(3) and Na4VMn(PO4)(3) showed that the Mn-substituted cathode material exhibited poorer thermal stability in the charged state, with amorphization of Na4VMn(PO4)(3)-based electrodes occurring at 150 to 250 degrees Celsius.
Article
Chemistry, Multidisciplinary
Aleksei V. Kubarkov, Alexander V. Babkin, Oleg A. Drozhzhin, Keith J. Stevenson, Evgeny V. Antipov, Vladimir G. Sergeyev
Summary: In this study, a combination of LiFePO4 active material with single-walled carbon nanotubes as conductive additive was used to develop high-energy-density cathodes for Li-ion batteries. The effect of different morphologies of the active material particles on the electrochemical characteristics of the cathodes was investigated. Spherical LiFePO4 microparticles provided higher packing density but had poorer contact with the current collector and lower rate capability compared to plate-shaped LiFePO4 nanoparticles.
Article
Chemistry, Multidisciplinary
Denis S. Lutsenko, Ekaterina V. Belova, Maxim V. Zakharkin, Oleg A. Drozhzhin, Evgeny V. Antipov
Summary: Sodium-ion batteries have the potential to replace lithium-ion and lead-acid batteries, and high efficiency in a wide temperature range is important. This article analyzes the phase equilibria and electrochemical properties of sodium-ion battery electrolytes based on different solvent mixtures. The electrolyte based on ethylene carbonate and diethyl carbonate shows excellent performance at low temperatures and could be a promising basis for the further development of low-temperature sodium-ion batteries.
CHEMISTRY-SWITZERLAND
(2023)
Article
Electrochemistry
Grigorii P. Lakienko, Zoya Bobyleva, Maria O. Apostolova, Yana Sultanova, Andrey K. Dyakonov, Maxim Zakharkin, Nikita A. Sobolev, Anastasia M. Alekseeva, Oleg A. Drozhzhin, Artem M. Abakumov, Evgeny Antipov
Summary: Sodium-ion battery technology is rapidly developing, and hard carbons derived from invasive plants such as Heracleum sosnowskyi show promising electrochemical performance as anode materials. This study successfully obtained hard carbons from giant hogweed and demonstrated their high discharge capacity, initial Coulombic efficiency, and capacity retention in sodium half-cells. The possibility of using giant hogweed-based hard carbons in real batteries was also demonstrated.
Article
Chemistry, Inorganic & Nuclear
Caleb J. Bennett, Helen E. A. Brand, Alexander K. L. Yuen, Maria K. Nicholas, Brendan J. Kennedy
Summary: The temperature dependence of the crystal structure of Potassium Hexaiodoplatinate(IV) between 80 and 500 K is studied. Different crystal structures are observed at different temperatures, including monoclinic, tetragonal, and cubic structures. Accurate determination of the structures of K2PtI6 is important for further theoretical and practical research.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhuo Zeng, Jiangfu Zheng, Xiaoming Li, Changzheng Fan, Rongying Zeng, Wenqing Tang
Summary: An efficient method for phosphate removal from wastewater is urgently needed due to the environmental issue caused by excessive phosphorus. In this study, calcium aluminum layered double hydroxides (CaAl-LDHs) and six amino acid intercalated calcium aluminum layered double hydroxides (CaAl-amino acid-LDHs) were prepared and compared for their phosphate adsorption performance. L-Aspartic acid intercalated calcium aluminum layered double hydroxides (CaAl-Asp-LDHs) exhibited the highest phosphate adsorption capacity and faster removal rate compared to CaAl-LDHs. The phosphate adsorption mechanism on CaAl-Asp-LDHs involved electrostatic attraction, hydrogen bonds, complexation, and ion exchange. This environmentally friendly material shows promising potential for efficient phosphate removal from aquatic environments.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rouzbeh Aghaei Hakkak, Thomas Schleid
Summary: The novel guanidinium hydro-closo-borates with [BnHn]2- (n = 10 and 12) anions were successfully synthesized via direct reaction. The crystal structures exhibit hydrogen bonding interactions and have the potential to facilitate H2 generation.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Liqiang Ma, Pengpeng Wei, Jingfang Li, Liye Liang, Guangming Li
Summary: A novel catalyst, H4PVMo2W9O40@rht-MOF-1, was developed using a one-pot hydrothermal method. It exhibited high efficiency and reusability in esterification reactions.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Liudmila A. Gorelova, Valentiva A. Yukhno, Maria G. Krzhizhanovskaya, Oleg S. Vereshchagin
Summary: Two new Ga-Ge disordered feldspar-related compounds were successfully synthesized using melt crystallization methods. Their stability and thermal expansion properties were studied under high-temperature conditions. The results showed that both compounds are stable within the studied temperature range and exhibit anisotropic thermal expansion.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Seifeddine Bdey, Nesrine Boussadoune, Francois Allard, Jacques Huot, Gabriel Antonius, Noura Fakhar Bourguiba, Pedro Nunez
Summary: The structure of a novel arsenate compound Na3Al3(AsO4)4 has been determined using X-ray diffraction. The crystal exhibits a monoclinic space group with suitable pathways for Na+ ion migration. The accuracy of the structural model was confirmed using various validation tools and density functional theory calculations.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Amit Kumar Atri, Ujwal Manhas, Sumit Singh, Irfan Qadir, Shikha Sharma, Preteek Sharma, Devinder Singh
Summary: This study synthesizes new oxygen deficient triple layered Ruddlesden-Popper (RP) phases via sol-gel method and investigates the effects of Cr3+ doping on their structural, optical, magnetic, and photocatalytic properties. The experimental results demonstrate that Cr3+ doping alters the interactions and leads to excellent photocatalytic performance in some phases.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Dat Le Thanh, Amandine Guiet, Emmanuelle Suard, Romain Berthelot
Summary: In this study, FeNb11O29 powder samples were prepared using a microwave-assisted solid-state synthesis method for the first time. The samples obtained rapidly from submicrometric oxide precursors showed enhanced cycling performance, possibly due to the easier ionic diffusion occurring in the smaller particles.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Raimund Ziegler, Felix R. S. Purtscher, Thomas S. Hofer, Gunter Heymann, Hubert Huppertz
Summary: We have successfully synthesized a new tellurium borate crystal under high-pressure and high-temperature conditions. The crystal structure and theoretical calculations have been thoroughly discussed.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Subhendu Jana, Eric A. Gabilondo, Paul A. Maggard
Summary: This study reports the synthesis and characterization of two previously unknown multinary selenides, Ba8Hf2Se11(Se-2) and Ba9Hf3Se14(Se-2), which display unique structures and optoelectronic properties competitive with existing perovskite-type chalcogenides.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Fei Ruan, Chonggui Lei, Fenglong Zhang, Jinxiao Bao, Fen Zhou, Min Xie, Pengfei Xu, Jianquan Gao
Summary: Studying the diffusion properties of hydrogen is important for designing new proton conductors. In the past, the chemical diffusion coefficient of hydrogen in proton conductors was usually obtained through a manual calculation method, resulting in difficulty in controlling the calculation accuracy. To address this issue, a mathematical algorithm and C language computer program were developed to calculate the chemical diffusion coefficient based on Fick's second law and Romberg numerical integral. The algorithm showed high precision and powerful computing function, and has the potential to replace the manual calculation method in calculating the chemical diffusion coefficient for hydrogen in proton conductors.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Deepika Shanubhogue, Suraj Mangavati, Ashok Rao, Ru-Ting Tsao, Yung-Kang Kuo
Summary: In this study, the effect of Y doping at the Sn-site on the structural, electrical, and low-temperature thermoelectric properties of the Cu2SnSe3 system is investigated. Y-doped compounds Cu2Sn1-xYxSe3 show reduced electrical resistivity, enhanced power factor, and decreased thermal conductivity, resulting in higher ZT values.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Wei Hong, Min Qing, Xun He, Lei Wang, Yu Pu, Qiyu Li, Zhimin He, Qin Dong, Rong Li, Xinglong Gou
Summary: This study developed a simple method to prepare SnS2 nanosheets and assembled them with MXene to form SnS2/MXene. The composite material exhibited abundant active sites, superior electron/ion transfer kinetics, and a unique 2D interlayer structure, resulting in high specific capacity, outstanding rate capability, and excellent cycling stability, with potential applications in LIBs.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Heng-Yu Ruan, Xue-Qian Wu, Tian-Yu Zhang, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: Two isostructural metalorganic frameworks (MOFs), CTGU-36-Co and CTGU-36-Ni, were synthesized, and CTGU-36-Ni demonstrated high activity as a molecular electrocatalyst for the methanol oxidation reaction.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rachid Fakhreddine, Ali Ouasri, Abderrahim Aatiq
Summary: This paper reports the synthesis, structure, and spectroscopic studies of three novel metal orthophosphate salts. The structures of these compounds were refined using X-ray powder diffraction data. The infrared and Raman analysis revealed their symmetries and the UV-visible investigation determined their optical properties.
JOURNAL OF SOLID STATE CHEMISTRY
(2024)
