Search Results - "Gutsev, Gennady L."
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Influence of back donation effects on the structure of ZnO nanoclusters
Published in Journal of computational chemistry (15-11-2020)“…The structure and properties of ZnO quantum dots is a very popular and rapidly growing field of research for which accurate quantum calculations are…”
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Self-Discharge Processes in Symmetrical Supercapacitors with Activated Carbon Electrodes
Published in Materials (26-09-2023)“…The self-discharge of an electric double-layer capacitor with composite activated carbon electrodes and aqueous electrolyte (1 M MgSO4) was studied in detail…”
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A Facile Synthesis of Noble-Metal-Free Catalyst Based on Nitrogen Doped Graphene Oxide for Oxygen Reduction Reaction
Published in Materials (21-01-2022)“…A simple method for the mechanochemical synthesis of an effective metal-free electrocatalyst for the oxygen reduction reaction was demonstrated. A…”
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Composite Resins Impregnated by Phosphorus Organic Extractants for Separation of Rare Earth Elements from Nitrate-Based Leachate of Permanent Magnets
Published in Materials (01-10-2023)“…Composite resins impregnated by different organophosphorus extractants were developed and used for the extraction chromatography recovery of rare earth…”
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Mechanical and Water Absorption Properties of Waterborne Polyurethane/Graphene Oxide Composites
Published in Materials (25-12-2022)“…Nanocomposites based on waterborne polyurethane (WPU) and graphene oxide (GO) have been synthesized and characterized. It was found that after the…”
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Editorial: Superhalogens & superalkalis: Exploration of structure, properties and applications
Published in Frontiers in chemistry (15-11-2022)Get full text
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Dissociation of Singly and Multiply Charged Nitromethane Cations: Femtosecond Laser Mass Spectrometry and Theoretical Modeling
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17-09-2020)“…Dissociation pathways of singly- and multiply charged gas-phase nitromethane cations were investigated with strong-field laser photoionization mass…”
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Hydrophobization of Reduced Graphene Oxide Aerogel Using Soy Wax to Improve Sorption Properties
Published in Materials (24-05-2024)“…A special technique has been developed for producing a composite aerogel which consists of graphene oxide and soy wax (GO/wax). The reduction of graphene oxide…”
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Reduced Graphene Oxide Aerogel inside Melamine Sponge as an Electrocatalyst for the Oxygen Reduction Reaction
Published in Materials (09-01-2021)“…A graphene oxide aerogel (GOA) was formed inside a melamine sponge (MS) framework. After reduction with hydrazine at 60 °C, the electrical conductive…”
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Chemical Bonding, Electron Affinity, and Ionization Energies of the Homonuclear 3d Metal Dimers
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12-06-2003)“…Electronic and geometrical structures of the homonuclear 3d metal dimers M2 (from Sc2 to Zn2) as well as their anions and cations are computed using density…”
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Joint Studies of Spin Frustration Induced by Doping Small ZnSe Nanoparticles with Fe Atoms
Published in Advanced Physics Research (01-01-2023)“…As a 1.8 nm ZnSe nanocrystal is progressively doped with 1%, 5%, and 10% Fe, it shows a progressive change in its magnetic properties from a superparamagnetic…”
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Structure and Chemical Bonding in Medium-Size Boron Clusters Doped with Praseodymium
Published in Inorganic chemistry (23-05-2022)“…After reports of unusually low oxidation states of lanthanide elements in Ln–B clusters and their inverse sandwich geometrical topologies, the interest shifted…”
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The Concentration of C(sp3) Atoms and Properties of an Activated Carbon with over 3000 m2/g BET Surface Area
Published in Nanomaterials (Basel, Switzerland) (17-05-2021)“…The alkaline activation of a carbonized graphene oxide/dextrin mixture yielded a carbon-based nanoscale material (AC-TR) with a unique highly porous structure…”
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Modification of Geometric and Electronic Structures of Iron Clusters by Nitrogen: Fe8 – vs Fe8N
Published in Journal of physical chemistry. C (13-02-2020)“…Iron nitrides have a wide range of industrial applications, whereas not much attention was paid to interactions between iron clusters and nitrogen atoms. In…”
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Graphene oxide membranes for electrochemical energy storage and conversion
Published in International journal of hydrogen energy (25-01-2018)“…Graphene oxide (GO) membranes have recently attracted considerable attention for various applications involving filtration. In electrochemical systems, GO…”
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Structure and Electronic Properties of Neutral and Negatively Charged RhBn Clusters (n = 3-10): A Density Functional Theory Study
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31-08-2017)“…The geometrical structure and electronic properties of the neutral RhBn and singly negatively charged RhBn- clusters are obtained in the range of 3 ≤ n ≤ 10…”
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Nitrogen Reduction to Ammonia on a Fe16 Nanocluster: A Computational Study of Catalysis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02-11-2023)“…The sequence of elementary steps leading to reductive ammonia formation from N2 and H2 catalyzed by a Fe16 cluster is studied using generalized gradient…”
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Revealing Interaction of Fluorinated Propylamine Hydrochloride with Precursor and Defect States of Perovskite Films Toward Efficient Flexible Solar Cells
Published in Advanced functional materials (01-10-2024)“…The trap state at the surfaces and grain boundaries of perovskite is one of the major obstacles to the further commercialization of flexible perovskite solar…”
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Superhalogens Among 3d‑Metal Compounds: MF4, MF6, MF12, and MF18 (M = Sc–Zn)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27-05-2021)“…The ground states of the neutral and anionic tetrafluoride and hexafluoride series of 3d-metal atoms from Sc to Zn were assigned by using a double-check…”
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