Search Results - "Pichugina, Daria"

On the Mechanism of the Reaction between Thiolate-Protected Gold Clusters and Molecular Oxygen: What is Activated? by Pichugina, Daria A, Nikitina, Nadezhda A, Kuz’menko, Nikolay E

“…The various energy pathways of Au20(SCH3)16 oxidation were simulated in the gas phase and on a CeO2 surface at the density functional…”
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Effect of the Metal Deposition Order on Structural, Electronic and Catalytic Properties of TiO2-Supported Bimetallic Au-Ag Catalysts in 1-Octanol Selective Oxidation by Yulia Kotolevich, Ekaterina Pakrieva, Ekaterina Kolobova, Mario H. Farías, Nina Bogdanchikova, Vicente Cortés Corberán, Daria Pichugina, Nadezhda Nikitina, Sónia A. C. Carabineiro, Alexey Pestryakov

“…Au and Ag were deposited on TiO2 modified with Ce, La, Fe or Mg in order to obtain bimetallic catalysts to be used for liquid-phase oxidation of 1-octanol. The…”
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Effect of Gold Electronic State on the Catalytic Performance of Nano Gold Catalysts in n -Octanol Oxidation by Pakrieva, Ekaterina, Kolobova, Ekaterina, Kotolevich, Yulia, Pascual, Laura, Carabineiro, Sónia A C, Kharlanov, Andrey N, Pichugina, Daria, Nikitina, Nadezhda, German, Dmitrii, Partida, Trino A Zepeda, Vazquez, Hugo J Tiznado, Farías, Mario H, Bogdanchikova, Nina, Cortés Corberán, Vicente, Pestryakov, Alexey

“…This study aims to identify the role of the various electronic states of gold in the catalytic behavior of Au/M O /TiO (where M O are Fe O or MgO) for the…”
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Supported Gold Nanoparticles as Catalysts in Peroxidative and Aerobic Oxidation of 1-Phenylethanol under Mild Conditions by Pakrieva, Ekaterina, Ribeiro, Ana P C, Kolobova, Ekaterina, Martins, Luísa M D R S, Carabineiro, Sónia A C, German, Dmitrii, Pichugina, Daria, Jiang, Ce, Pombeiro, Armando J L, Bogdanchikova, Nina, Corberán, Vicente Cortés, Pestryakov, Alexey

“…The efficiency of Au/TiO based catalysts in 1-phenylethanol oxidation was investigated. The role of support modifiers (La O or CeO ), influence of gold loading…”
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Formation of H2O2 on Au20 and Au19Pd Clusters: Understanding the Structure Effect on the Atomic Level by Beletskaya, Anna V, Pichugina, Daria A, Shestakov, Alexander F, Kuz’menko, Nikolay E

“…Supported gold nanoparticles are promising catalysts for production of H2O2 from O2 and H2. Size, structure, and palladium doping effects play the key role in…”
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Copper(ii) coordination compounds as building blocks for the formation of gold nanoparticle dimers by Romashkina, Renata B., Beloglazkina, Elena K., Khlobystov, Andrei N., Majouga, Alexander G., Pichugina, Daria A., Terenin, Vladimir I., Zyk, Nikolai V., Zefirov, Nikolai S.

“…A new way for gold nanoparticle dimer formation based on the coordination interaction of a benzimidazole copper(ii) complex with gold nanoparticles has been…”
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Theoretical Prediction of S–H Bond Rupture in Methanethiol upon Interaction with Gold by Askerka, Mikhail, Pichugina, Daria, Kuz’menko, Nikolay, Shestakov, Alexander

“…Organic thiols are known to react with gold surface to form self-assembled monolayers (SAMs), which can be used to produce materials with highly attractive…”
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Correlation between electronic properties and reactivity toward oxygen of tetrahedral gold–silver clusters by Polynskaya, Yulia G., Pichugina, Daria A., Kuz’menko, Nikolay E.

“…[Display omitted] •Geometry optimisations were performed within relativistic spin-polarized DFT/PBE.•Relative stability and reactivity of the mono-doped…”
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A Structural and Stability Evaluation of Au 12 from an Isolated Cluster to the Deposited Material by Mukhamedzyanova, Dina F., Ratmanova, Nina K., Pichugina, Daria A., Kuz’menko, Nikolay E.

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Formation of H sub(2)O sub(2) on Au sub(20) and Au sub(19)Pd Clusters: Understanding the Structure Effect on the Atomic Level by Beletskaya, Anna V, Pichugina, Daria A, Shestakov, Alexander F, Kuz'menko, Nikolay E

“…Supported gold nanoparticles are promising catalysts for production of H sub(2)O sub(2) from O sub(2) and H sub(2). Size, structure, and palladium doping…”
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Formation of H 2 O 2 on Au 20 and Au 19 Pd Clusters: Understanding the Structure Effect on the Atomic Level by Beletskaya, Anna V., Pichugina, Daria A., Shestakov, Alexander F., Kuz’menko, Nikolay E.

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A Structural and Stability Evaluation of Au12 from an Isolated Cluster to the Deposited Material by Mukhamedzyanova, Dina F, Ratmanova, Nina K, Pichugina, Daria A, Kuz’menko, Nikolay E

“…The morphology and charged state of gold clusters play a crucial role in heterogeneous catalysis. The selection and optimization of theoretical approaches are…”
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Test of Computational Approaches for Gold-Thiolate Clusters Calculation using Lomonosov Supercomputer

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New separation materials based on gold nanoparticles by Majouga, Alexander, Pichugina, Daria, Ananieva, Irina, Kurilova, Svetlana, Shpigun, Oleg, Kuz'menko, Nikolay, Zyk, Nikolay

“…Purpose - Gold clusters supported on oxide surface are most promising as active sites as biochemical sensors, in optical industry and catalysis, but there is…”
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Formation of H2O2 on Au20 and Au19Pd Clusters: Understanding the Structure Effect on the Atomic Level by BELETSKAYA, Anna V, PICHUGINA, Daria A, SHESTAKOV, Alexander F, KUZ'MENKO, Nikolay E

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A Structural and Stability Evaluation of Au12 from an Isolated Cluster to the Deposited Material by MUKHAMEDZYANOVA, Dina F, RATMANOVA, Nina K, PICHUGINA, Daria A, KUZ'MENKO, Nikolay E

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Role of deposition technique and support nature on the catalytic activity of supported gold clusters: experimental and theoretical study by Golubina, Elena V., Pichugina, Daria A., Majouga, Alexander G., Aytekenov, Sultan A.

“…The properties of gold nanoparticles depend on their size, which is, in turn, determined by the type of a support and method used for their deposition. In this…”
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