Search Results - "Oreshonkov, Aleksandr"

SI: Advances in Density Functional Theory (DFT) Studies of Solids by Oreshonkov, Aleksandr S

“…This summary is a review on articles published in the Special Issue "Advances in Density Functional Theory (DFT) Studies of Solids" from the section "Materials…”
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Structural Features of Y2O2SO4 via DFT Calculations of Electronic and Vibrational Properties by Oreshonkov, Aleksandr, Denisenko, Yuriy

“…The traditional way for determination of molecular groups structure in crystals is the X-Ray diffraction analysis and it is based on an estimation of the…”
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Structure, Thermal Stability, and Spectroscopic Properties of Triclinic Double Sulfate AgEu(SO4)2 with Isolated SO4 Groups by Denisenko, Yuriy G, Atuchin, Victor V, Molokeev, Maxim S, Aleksandrovsky, Aleksandr S, Krylov, Alexander S, Oreshonkov, Aleksandr S, Volkova, Svetlana S, Andreev, Oleg V

“…Silver–europium double sulfate AgEu­(SO4)2 was obtained by solid-phase reaction between Ag2SO4 and Eu2(SO4)3. The crystal structure of AgEu­(SO4)2 was…”
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Exploration of structural, vibrational and spectroscopic properties of self-activated orthorhombic double molybdate RbEu(MoO4)2 with isolated MoO4 units by Atuchin, Victor V., Aleksandrovsky, Aleksandr S., Bazarov, Bair G., Bazarova, Jibzema G., Chimitova, Olga D., Denisenko, Yuriy G., Gavrilova, Tatyana A., Krylov, Alexander S., Maximovskiy, Eugene A., Molokeev, Maxim S., Oreshonkov, Aleksandr S., Pugachev, Alexey M., Surovtsev, Nikolay V.

“…RbEu(MoO4)2 is synthesized by the two-step solid state reaction method. The crystal structure of RbEu(MoO4)2 is defined by Rietveld analysis in space group…”
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Raman Spectroscopy of Janus MoSSe Monolayer Polymorph Modifications Using Density Functional Theory by Oreshonkov, Aleksandr S, Sukhanova, Ekaterina V, Popov, Zakhar I

“…Two-dimensional transition metal dichalcogenides (TMDs) with Janus structures are attracting increasing attention due to their emerging superior properties in…”
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Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm) by Azarapin, Nikita O., Aleksandrovsky, Aleksandr S., Atuchin, Victor V., Gavrilova, Tatyana A., Krylov, Aleksandr S., Molokeev, Maxim S., Mukherjee, Shaibal, Oreshonkov, Aleksandr S., Andreev, Oleg V.

“…Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS2, H2S)…”
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Negative Thermal Expansion in the Polymorphic Modification of Double Sulfate β‑AEu(SO4)2 (A–Rb+, Cs+) by Denisenko, Yuriy G., Molokeev, Maxim S., Jiang, Xingxing, Sedykh, Alexander E., Aleksandrovsky, Aleksandr S., Oreshonkov, Aleksandr S., Roginskii, Evgenii M., Zhernakov, Maksim A., Heuler, Dominik, Seuffert, Marcel, Lin, Zheshuai, Andreev, Oleg V., Müller-Buschbaum, Klaus

“…New polymorphic modifications of double sulfates β-AEu­(SO4)2 (A–Rb+, Cs+) were obtained by the hydrothermal method, the structure of which differs…”
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Thermochemistry of Solid‐State Formation, Structure, Optical, and Luminescent Properties of Complex Oxides Eu2MeO6 (Me–Mo, W), Eu2W2O9: A Combined Experimental and DFT Study by Seredina, Yulia V., Oreshonkov, Aleksandr S., Molokeev, Maxim S., Sedykh, Alexander E., Aleksandrovsky, Aleksandr S., Zhernakov, Maksim A., Khritokhin, Nikolay A., Azarapin, Nikita O., Glukhova, Polina O., Shelpakova, Natalia A., Müller‐Buschbaum, Klaus, Denisenko, Yuriy G.

“…Complex oxides Eu2MeO6 (Me–Mo, W), Eu2W2O9 were obtained by a solid‐phase reaction between binary oxides. The thermodynamic and kinetic mechanisms of the…”
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Thermochemistry of Solid-State Formation, Structure, Optical, and Luminescent Properties of Complex Oxides Eu 2 MeO 6 (Me-Mo, W), Eu 2 W 2 O 9 : A Combined Experimental and DFT Study by Seredina, Yulia V, Oreshonkov, Aleksandr S, Molokeev, Maxim S, Sedykh, Alexander E, Aleksandrovsky, Aleksandr S, Zhernakov, Maksim A, Khritokhin, Nikolay A, Azarapin, Nikita O, Glukhova, Polina O, Shelpakova, Natalia A, Müller-Buschbaum, Klaus, Denisenko, Yuriy G

“…Complex oxides Eu MeO (Me-Mo, W), Eu W O were obtained by a solid-phase reaction between binary oxides. The thermodynamic and kinetic mechanisms of the…”
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Structural and Spectroscopic Effects of Li+ Substitution for Na+ in LixNa1-xCaGd0.5Ho0.05Yb0.45(MoO4)3 Scheelite-Type Upconversion Phosphors by Lim, Chang-Sung, Aleksandrovsky, Aleksandr, Molokeev, Maxim, Oreshonkov, Aleksandr, Atuchin, Victor

“…A set of new triple molybdates, LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45, was successfully manufactured by the microwave-accompanied sol–gel-based process…”
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Crystal Structure, Vibrational, Spectroscopic and Thermochemical Properties of Double Sulfate Crystalline Hydrate [CsEu(H2O)3(SO4)2]·H2O and Its Thermal Dehydration Product CsEu(SO4)2 by Denisenko, Yuriy G., Molokeev, Maxim S., Oreshonkov, Aleksandr S., Krylov, Alexander S., Aleksandrovsky, Aleksandr S., Azarapin, Nikita O., Andreev, Oleg V., Razumkova, Illaria A., Atuchin, Victor V.

“…Crystalline hydrate of double cesium europium sulfate [CsEu(H2O)3(SO4)2]·H2O was synthesized by the crystallization from an aqueous solution containing…”
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Structural and Spectroscopic Effects of Li+ Substitution for Na+ in LixNa1−xCaLa0.5Er0.05Yb0.45(MoO4)3 Upconversion Scheelite-Type Phosphors by Lim, Chang Sung, Aleksandrovsky, Aleksandr, Molokeev, Maxim, Oreshonkov, Aleksandr, Atuchin, Victor

“…New triple molybdates LixNa1−xCaLa0.5(MoO4)3:Er3+0.05/Yb3+0.45 (x = 0, 0.05, 0.1, 0.2, 0.3) were manufactured successfully using the microwave-assisted…”
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Microwave sol-gel synthesis, microstructural and spectroscopic properties of scheelite-type ternary molybdate upconversion phosphor NaPbLa(MoO4)3:Er3+/Yb3 by Lim, Chang Sung, Aleksandrovsky, Aleksandr S., Atuchin, Victor V., Molokeev, Maxim S., Oreshonkov, Aleksandr S.

“…New ternary molybdate NaPbLa(1-x-y)(MoO4)3:xEr3+,yYb3+ (x = y = 0, x = 0.05 and y = 0.35, 0.4, 0.45 and 0.5) phosphors were successfully fabricated by the MSG…”
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Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations by Grigoriev, Maxim V., Ruseikina, Anna V., Chernyshev, Vladimir A., Oreshonkov, Aleksandr S., Garmonov, Alexander A., Molokeev, Maxim S., Locke, Ralf J. C., Elyshev, Andrey V., Schleid, Thomas

“…EuScCuSe3 was synthesized from the elements for the first time by the method of cesium-iodide flux. The crystal belongs to the orthorhombic system (Cmcm) with…”
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Europium (II) Sulfate EuSO4: Synthesis Methods, Crystal and Electronic Structure, Luminescence Properties by Denisenko, Yuriy G., Sedykh, Alexander E., Oreshonkov, Aleksandr S., Molokeev, Maxim S., Azarapin, Nikita O., Sal'nikova, Elena I., Chimitova, Olga D., Andreev, Oleg V., Razumkova, Illaria A., Müller‐Buschbaum, Klaus

“…In the present work, we report on the synthesis of EuSO4 powders by two different methods using EuS as starting material. The compound EuSO4 contains divalent…”
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Structural, Spectroscopic, Electric and Magnetic Properties of New Trigonal K5FeHf(MoO4)6 Orthomolybdate by Grossman, Victoria, Atuchin, Victor, Bazarov, Bair G., Aleksandrovsky, Aleksandr, Eremin, Evgeniy, Krylov, Alexander, Kuratieva, Natalia, Bazarova, Jibzema G., Maximov, Nikolai, Molokeev, Maxim, Oreshonkov, Aleksandr, Pervukhina, Natalia, Shestakov, Nikolay

“…A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction…”
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Density-Functional Study of the Si/SiO2 Interfaces in Short-Period Superlattices: Vibrational States and Raman Spectra by Smirnov, Mikhail, Roginskii, Evgenii, Savin, Aleksandr, Oreshonkov, Aleksandr, Pankin, Dmitrii

“…Raman spectroscopy has proven its effectiveness as a highly informative and sensitive method for the nondestructive analysis of layered nanostructures and…”
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Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies by Grigoriev, Maxim V., Solovyov, Leonid A., Ruseikina, Anna V., Aleksandrovsky, Aleksandr S., Chernyshev, Vladimir A., Velikanov, Dmitriy A., Garmonov, Alexander A., Molokeev, Maxim S., Oreshonkov, Aleksandr S., Shestakov, Nikolay P., Matigorov, Alexey V., Volkova, Svetlana S., Ostapchuk, Evgeniy A., Kertman, Alexander V., Schleid, Thomas, Safin, Damir A.

“…In this work, we report on the synthesis, in-depth crystal structure studies as well as optical and magnetic properties of newly synthesized heterometallic…”
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Structural, Electronic and Vibrational Properties of YAl3(BO3)4 by Oreshonkov, Aleksandr S., Roginskii, Evgenii M., Shestakov, Nikolai P., Gudim, Irina A., Temerov, Vladislav L., Nemtsev, Ivan V., Molokeev, Maxim S., Adichtchev, Sergey V., Pugachev, Alexey M., Denisenko, Yuriy G.

“…The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically…”
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Evolution of Structural, Thermal, Optical, and Vibrational Properties of Sc2S3, ScCuS2, and BaScCuS3 Semiconductors by Azarapin, Nikita O., Oreshonkov, Aleksandr S., Razumkova, Illaria A., Aleksandrovsky, Aleksandr S., Maximov, Nikolai G., Leonidov, Ivan I., Shestakov, Nikolai P., Andreev, Oleg V.

“…In the present work, we report on the synthesis of Sc2S3, ScCuS2 and BaScCuS3 powders using a method based on oxides sulfidation and modification of their…”
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