Article
Chemistry, Physical
Yin L. Xu, Yang M. Chen, Xiao Z. Yan, Yi B. Huang, Xing Z. Zhou, Quan X. Wu, Xiao W. Sheng, Fang G. Kuang
Summary: In this study, the crystal structures and physical properties of an H-S-La system were systematically investigated using first-principles calculations combined with the CALYPSO structure exploration technique. Four stable stoichiometries were predicted, and the superconducting transition temperatures of these compounds were calculated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Tay Sparks, Duc Nguyen-Manh, Pengfei Zheng, Damian Sobieraj, Michael Gorley, Thomas Connolley, Christina Reinhard, Yiqiang Wang, Biao Cai, Jan S. Wrobel
Summary: This study investigated the mechanical properties of the vanadium base alloy V-4Cr-4Ti using in-situ high energy X-ray diffraction, and calculated its polycrystalline elastic properties and Zener anisotropy. The results are valuable for further assessing the suitability of V-4Cr-4Ti as a structural material.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Optics
Peco Myint, Miaoqi Chu, Ashish Tripathi, Michael J. Wojcik, JIan Zhou, Mathew J. Cherukara, Suresh Narayanan, Jin Wang, Zhang Jiang
Summary: Surface-sensitive reflection-geometry scattering techniques, such as grazing incident small angle X-ray scattering, are commonly used to study nanostructures on substrates and provide statistical structural information. Coherent surface scattering imaging (CSSI) is a powerful yet non-invasive technique that can probe the absolute three-dimensional structural morphology of the sample. However, conventional CDI reconstruction techniques cannot be directly applied to CSSI due to the dynamical scattering phenomenon near the critical angle of total external reflection. To overcome this, a multislice forward model was developed to simulate the dynamical scattering from surface structures and the underlying substrate, enabling the reconstruction of an elongated 3D pattern from a single shot scattering image in CSSI geometry.
Article
Chemistry, Multidisciplinary
Francisco Miguel Morales, Marta Escanciano, Maria Pilar Yeste, Antonio Jesus Santos
Summary: This study conducted a mechanistic investigation on the optimal methods of fabricating products with higher loads of thermochromic VO2(M1). The study identified the best temperatures and methods for achieving stable products with high yields. The use of tungstate salt as a doping platform was also found to be effective. These findings have important implications for applications and improvements in this field.
Article
Multidisciplinary Sciences
Wolfgang Koelmel, Jochen Kuper, Caroline Kisker
Summary: The anomalous scattering properties of heavy alkali metal cesium have been utilized to solve the phase problem in macromolecular X-ray crystallography. By introducing cesium chloride at various steps, a successful strategy for phasing crystal structures has been developed.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Multidisciplinary
Antonio J. Santos, Marta Escanciano, Alfonso Suarez-Llorens, M. Pilar Yeste, Francisco M. Morales
Summary: A new dry method for fabricating thermochromic products using controlled heat treatment of pure vanadium nanoparticles has been presented. The optimal fabrication conditions were determined through experiments, leading to a green and efficient process suitable for industrial production with enhanced product performance.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Marino F. A. Santos, Giuseppe Sciortino, Isabel Correia, Andreia C. P. Fernandes, Teresa Santos-Silva, Federico Pisanu, Eugenio Garribba, Joao Costa Pessoa
Summary: This study investigates the interaction between vanadium compounds and proteins, revealing the relevance of hydrolysis and the formation of different adducts in these interactions.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Polymer Science
Viktoriia Untilova, Huiyan Zeng, Pablo Durand, Laurent Herrmann, Nicolas Leclerc, Martin Brinkmann
Summary: Redox doping is widely utilized to enhance the thermoelectric properties of polymer semiconductors by transforming them into conducting polymers. The study presents a structural model for F(6)TCNNQ-doped P3HT, highlighting the improved order of F(6)TCNNQ molecules compared to F(4)TCNQ in the crystals, leading to enhanced charge conductivities and thermoelectric power factors.
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Dingbang Li, Zhuoting Wu, Siming Zhao, Lili Wang, Dongling Qiao, Liang Zhang, Binjia Zhang
Summary: This study found that cold storage under different water-to-rice ratios has different effects on the structure and starch digestibility of cooked rice. Cold storage with a lower water-to-rice ratio increased the content of slowly digestible starch (SDS), while cold storage with a higher water-to-rice ratio increased the content of resistant starch (RS). These findings can be used to design cold-chain cooked rice with tailored starch digestibility.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Chemistry, Multidisciplinary
Thomas Beuvier, Yuriy Chushkin, Federico Zontone, Alain Gibaud, Oxana Cherkas, Julio Da Silva, Irina Snigireva
Summary: This article uses coherent X-ray diffraction imaging and 3D X-ray fluorescence techniques to visualize the formation process of hollow microparticles of calcium carbonate in the presence of PSS. The dissolution of the core and the development of the shell result in the formation of complex core-shell structures.
Article
Chemistry, Physical
E. Zielony, R. Szymon, A. Wierzbicka, A. Reszka, M. Sobanska, W. Pervez, Z. R. Zytkiewicz
Summary: In this study, Raman scattering and X-ray diffraction techniques were used to investigate strain and lattice vibration mechanisms in self-assembled GaN-AlxGa1-xN nanowire structures. The analysis of Raman spectra and XRD data provided insights into the chemical composition, strain, and lattice vibration mechanisms in these nanowires.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Daniel Lueert, Christina M. Legendre, Regine Herbst-Irmer, Dietmar Stalke
Summary: This study reports the synthesis and magnetic properties of three mixed metal triimidosulfite based alkali-lanthanide-metal-cages, and demonstrates that preventing lithium chloride co-complexation can significantly enhance the performance of sulfur-nitrogen ligands. One of the complexes also exhibits butterfly-shaped hysteresis.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Energy & Fuels
J. Jennings, D. J. Growney, H. Brice, O. O. Mykhaylyk, S. P. Armes
Summary: Asphaltenes, complex carbon-rich molecules found in crude oil, have a strong tendency to aggregate and phase separate. This causes issues in crude oil extraction, refining, and application. Understanding the morphology and mechanisms of asphaltene aggregation and designing stabilizers to prevent phase separation have been the focus of research. Imaging techniques and light scattering provide limited structural information, while small-angle scattering and X-ray diffraction offer a wealth of information about asphaltene structure.
Article
Biochemistry & Molecular Biology
Dmitry Makarov, Anastasia Kharlamova
Summary: This study develops a theory of X-ray ultrashort pulse scattering that takes into account the interaction between ultrashort pulses and complex polyatomic structures. The obtained expressions have a simple analytical form that can be used in diffraction analysis.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Irina Antonova, Marina B. Shavelkina, Dmitriy A. Poteryaev, Nadezhda A. Nebogatikova, Artem I. Ivanov, Regina A. Soots, Anton K. Gutakovskii, Irina I. Kurkina, Vladimir A. Volodin, Vladimir A. Katarzhis, Peter P. Ivanov, Alexey N. Bocharov
Summary: A novel method for creating composite nanoparticles with various morphology and electric properties using small boron nitride nanosheets and graphene flakes is proposed. The composite nanoparticles and films fabricated from structures synthesized in helium plasma jet show significant changes in electric properties, with potential for electronic applications. The composites exhibit nonlinear current-voltage characteristics, with some showing switching up to four orders of magnitude, indicating potential for use in electronic devices such as memristors and logic elements.
ADVANCED ENGINEERING MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Aleksei S. Pronin, Yakov M. Gayfulin, Taisiya S. Sukhikh, Alexander N. Lavrov, Vadim V. Yanshole, Yuri V. Mironov
Summary: A series of heterometallic tetrahedral cluster complexes were synthesized by reacting ReI3 and MO3 with selenium and KCN at elevated temperatures. Crystal structures, electrochemical properties, and magnetic properties of the crystalline samples were studied in detail. Results showed that the new cluster anions exhibit regular changes in geometric characteristics and redox potentials depending on the composition of the cluster core.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Spartak S. Yarovoy, Irina Mirzaeva, Yuri Mironov, Natalia Pervukhina, Konstantin A. Brylev
Summary: Azide cluster complexes were obtained by reacting Re3X9 with sodium azide. These complexes represent the first case of metal cluster polyazide complexes and exhibit high explosiveness.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
S. B. Artemkina, E. D. Grayfer, M. N. Ivanova, A. Yu Ledneva, A. A. Poltarak, P. A. Poltarak, S. S. Yarovoi, S. G. Kozlova, V. E. Fedorov
Summary: This review provides an overview of the structures, electronic and functional properties of early transition metal chalcogenides, and discusses the effects of metal and chalcogen properties on the structural and functional features of these materials.
JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Andrey V. Ermolaev, Yuri V. Mironov
Summary: Four novel hybrid compounds were synthesized and characterized, and their structures are built from [Re(6)Q(8)(CN)(6)](4-), Cu+ and organic ligands. Two compounds have cubic structures and the other two have monoclinic structures. Compounds 1 and 2 exhibit red emission.
Article
Biochemistry & Molecular Biology
Iulia V. Savina, Anton A. Ivanov, Darya V. Evtushok, Yakov M. Gayfulin, Andrey Y. Komarovskikh, Mikhail M. Syrokvashin, Mariia N. Ivanova, Igor P. Asanov, Ilia V. Eltsov, Natalia V. Kuratieva, Yuri V. Mironov, Michael A. Shestopalov
Summary: This study presents the synthesis and characterization of new chalcogenide molybdenum clusters. The oxidized and reduced forms of the clusters have similar geometries and can be reversibly transformed into each other. Comprehensive characterization reveals the different charge states and magnetic properties of molybdenum in the clusters. DFT calculations contribute to the understanding of the chemistry of molybdenum chalcogenide clusters.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Physics, Applied
Svetlana G. Titova, Alexey S. Shkvarin, Alexey V. Lukoyanov, Stepan V. Pryanichnikov, Ratibor G. Chumakov, Alexander M. Lebedev, Ludmila P. Kozeeva, Margarita Yu. Kameneva, Vladimir E. Fedorov
Summary: The connection between the density peak of electronic states and the localization of charge carriers at the compression of CuO5 pyramids in Y0.9Ca0.1Ba2Cu3O6.8 single crystal is found through a comparison of experimental angle-resolved photoemission spectra data and electronic structure calculations using density functional theory. Both experiment and calculation are performed using photon energies of 34.6 and 90.2 eV. Excitation energy does not affect the density peak of electronic states. Crystal structure distortions on the surface result in the observation of localized electronic states below the superconducting transition temperature.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2023)
Article
Chemistry, Physical
Nadezhda A. Nebogatikova, Irina V. Antonova, Anton K. Gutakovskii, Dmitriy V. Smovzh, Vladimir A. Volodin, Pavel B. Sorokin
Summary: In this study, the nanostructuring processes in locally suspended few-layer graphene (FLG) films were investigated by irradiation with high energy ions. The formation of nanostructures in the FLG films as a result of irradiation was revealed, with the formation of nanodiamonds or stacking structures depending on the energy of the irradiating ions. The main novelty of this study lies in the visualization of ion tracks in graphene as diamond or diamond-like rings and the determination of the main condition for diamond formation.
Article
Chemistry, Multidisciplinary
Z. A. Matveev, B. Ch. Kholkhoev, V. G. Makotchenko, M. N. Ivanova, V. E. Fedorov, V. F. Burdukovskii
Summary: A new benzimidazole-functionalized graphene material was obtained by the interaction of graphene fluoride with 2-phenylbenzimidazole. It was demonstrated that performing the reaction in sulfolane in the presence of pyridine yielded a higher degree of functionalization. The formation of the target product was confirmed by elemental analysis as well as IR and Raman spectroscopy.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Ekaterina D. Grayfer, Sofya B. Artemkina, Mariia N. Ivanova, Konstantin A. Brylev, Vladimir E. Fedorov
Summary: This review systematically summarizes literature data on polymeric polychalcogenides of group IV-VII transition metals (TiS3, VS4, NbSe3, MoSx, ReS4, etc.). It covers the structural characteristics of crystalline compounds and the proposed structural models of amorphous phases. The latest advances in the synthesis of these low-dimensional materials at the nanoscale are presented. Their chemical properties, particularly those arising from the presence of dichalcogenide bonds, are discussed. The importance of the S-S (or Se-Se) groups in determining the distinctive features of polychalcogenides and their applications in various fields is emphasized.
RUSSIAN CHEMICAL REVIEWS
(2023)
Article
Chemistry, Physical
Irina V. Antonova, Vladimir A. Seleznev, Nadezhda A. Nebogatikova, Artem I. Ivanov, Bogdan V. Voloshin, Vladimir A. Volodin, Irina I. Kurkina
Summary: In this study, V2O5 films synthesized by plasma-enhanced atomic layer deposition were analyzed for memristive applications. The films showed hysteresis and memristive switching effects, with the most stable and promising performance observed in films with an average thickness of 3.6 nm.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Irina V. Antonova, Vladimir A. Seleznev, Nadezhda A. Nebogatikova, Artem I. Ivanov, Bogdan V. Voloshin, Vladimir A. Volodin, Irina I. Kurkina
Summary: In this study, V2O5 films synthesized by plasma-enhanced atomic layer deposition were analyzed for memristive applications. The films with an average thickness of 1.0-3.6 nm exhibited stable and promising memristive switching behavior.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Irina V. Antonova, Marina B. Shavelkina, Artem I. Ivanov, Nadezhda A. Nebogatikova, Regina A. Soots, Vladimir A. Volodin
Summary: This study obtained graphene flakes of different structures and resistances through the pyrolysis process of hydrocarbons in a plasma-chemical reactor. It was found that hydrogen is involved in graphene nucleation, while oxygen is absorbed from the air. The study also discovered that the growth parameters and synthesis conditions can control the defects and conductivity of graphene.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
M. A. Agafonov, E. V. Alexandrov, N. A. Artyukhova, G. E. Bekmukhamedov, V. A. Blatov, V. V. Butova, Y. M. Gayfulin, A. A. Garibyan, Z. N. Gafurov, Yu. G. Gorbunova, L. G. Gordeeva, M. S. Gruzdev, A. N. Gusev, G. L. Denisov, D. N. Dybtsev, Yu. Yu. Enakieva, A. A. Kagilev, A. O. Kantyukov, M. A. Kiskin, K. A. Kovalenko, A. M. Kolker, D. Kolokolov, Y. M. Litvinova, A. A. Lysova, N. V. Maksimchuk, Y. V. Mironov, Yu. V. Nelyubina, V. V. Novikov, V. I. Ovcharenko, A. V. Piskunov, D. M. Polyukhov, V. A. Polyakov, V. G. Ponomareva, A. S. Poryvaev, G. V. Romanenko, A. V. Soldatov, M. V. Solovyeva, A. G. Stepanov, I. V. Terekhova, O. Yu. Trofimova, V. P. Fedin, M. V. Fedin, O. A. Kholdeeva, A. Yu. Tsivadze, U. Chervonova, A. I. Cherevko, V. F. Shul'gin, E. S. Shutova, D. G. Yakhvarov
Summary: This review summarizes the current research fields of metal-organic frameworks (MOFs) developed by Russian scientific institutions and universities in the last 5-10 years, including design, synthesis, topological description, and prediction of MOF properties, development of chemical engineering and modification methods, investigation using modern physicochemical techniques, and creation of functional materials based on porous frameworks.
JOURNAL OF STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
A. Ermolaev, A. Smolentsev, Yu Mironov
Summary: Two new compounds [Cu-2(en)(2)(mu-CN)][{Cu(en)}(3)Re(6)Q(8)(CN)(6)]center dot en center dot H2O (Q = S, Se) were synthesized under solvothermal conditions. The reaction substituted OH- ligands with CN- ligands and formed fac-isomeric [{Cu(en)}(3)Re(6)Q(8)(CN)(6)](-) anions with the negative charge being compensated by the [Cu-2(en)(2)(mu-CN)](+) complex cation. The compounds obtained were isostructural and characterized using IR spectroscopy, elemental analysis, and single crystal X-ray diffraction.
JOURNAL OF STRUCTURAL CHEMISTRY
(2022)