Search Results - "Roginskii, Evgenii M."
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Unraveling the Structure–Raman Spectra Relationships in V2O5 Polymorphs via a Comprehensive Experimental and DFT Study
Published in Inorganic chemistry (06-08-2018)“…Vanadium pentoxide polymorphs (α-, β-, γ′-, and ε′-V2O5) have been studied using the Raman spectroscopy and quantum-chemical calculations based on density…”
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2
Ab Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO2
Published in Physica status solidi. PSS-RRL. Rapid research letters (01-04-2023)“…Herein, a computational technique that combines density functional theory and the finite difference method is presented to enable the calculation of the Raman…”
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3
Structural, Electronic and Vibrational Properties of YAl3(BO3)4
Published in Materials (23-01-2020)“…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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4
The Effect of Interface Diffusion on Raman Spectra of Wurtzite Short-Period GaN/AlN Superlattices
Published in Nanomaterials (Basel, Switzerland) (14-09-2021)“…We present an extensive theoretical and experimental study to identify the effect on the Raman spectrum due to interface interdiffusion between GaN and AlN…”
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5
A Computational and Spectroscopic Study of the Electronic Structure of V2O5‑Based Cathode Materials
Published in Journal of physical chemistry. C (18-03-2021)“…The electronic structure of α-V2O5, γ′-V2O5, and γ-MeV2O5 (Me = Li, Na) bronzes is studied by quantum-chemical calculations completed by spectroscopic…”
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6
Negative Thermal Expansion in the Polymorphic Modification of Double Sulfate β‑AEu(SO4)2 (A–Rb+, Cs+)
Published in Inorganic chemistry (07-08-2023)“…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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7
Unraveling the Structure-Raman Spectra Relationships in V 2 O 5 Polymorphs via a Comprehensive Experimental and DFT Study
Published in Inorganic chemistry (06-08-2018)“…Vanadium pentoxide polymorphs (α-, β-, γ'-, and ε'-V O ) have been studied using the Raman spectroscopy and quantum-chemical calculations based on density…”
Get full text
Journal Article -
8
Ab Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO2
Published in Physica status solidi. PSS-RRL. Rapid research letters (01-04-2023)“…Amorphous Oxides By relying on density functional perturbation theory and finite difference method, in article number 2200505, Evgenii M. Roginskii, Assil…”
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9
Ab Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO 2
Published in Physica status solidi. PSS-RRL. Rapid research letters (01-04-2023)“…Herein, a computational technique that combines density functional theory and the finite difference method is presented to enable the calculation of the Raman…”
Get full text
Journal Article -
10
Ab Initio Study of the Raman Spectra of Amorphous Oxides: Insights into the Boson Peak Nature in Glassy TeO 2
Published in Physica status solidi. PSS-RRL. Rapid research letters (01-04-2023)Get full text
Journal Article -
11
Identification of anhydrous CaCl2 and KCaCl3 in natural inclusions by Raman spectroscopy
Published in Chemical geology (20-08-2018)“…Anhydrous chlorides - CaCl2, and KCaCl3 (chlorocalcite) were identified as mineral inclusions in halite from the Siberian Large Igneous Province at the contact…”
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12
Crystal structure determination of a new sodium vanadium bronze electrochemically formed
Published in Journal of solid state chemistry (01-10-2017)“…γ-Na0.97V2O5 is synthesized by electrochemical reduction at constant current of γ’-V2O5 in a 1M NaClO4 propylene carbonate electrolyte. This sodium vanadium…”
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13
A Computational and Spectroscopic Study of the Electronic Structure of V 2 O 5 -Based Cathode Materials
Published in Journal of physical chemistry. C (18-03-2021)“…The electronic structure of α-V 2 O 5 , γ-V 2 O 5 and γ-MeV 2 O 5 (Me = Li, Na) bronzes is studied by quantum-chemical calculations completed by spectroscopic…”
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14
Structural, Electronic and Vibrational Properties of YAl 3 (BO 3 ) 4
Published in Materials (23-01-2020)“…The crystal structure of YAl (BO ) is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically…”
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Journal Article