Výsledky vyhľadávania - "Pidko, Evgeny A."

The Nature and Catalytic Function of Cation Sites in Zeolites: a Computational Perspective Autor Li, Guanna, Pidko, Evgeny A.

“…Zeolites have a broad spectrum of applications as robust microporous catalysts for various chemical transformations. The reactivity of zeolite catalysts can be…”
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Engineering of Transition Metal Catalysts Confined in Zeolites Autor Kosinov, Nikolay, Liu, Chong, Hensen, Emiel J M, Pidko, Evgeny A

“…Transition metal-zeolite composites are versatile catalytic materials for a wide range of industrial and lab-scale processes. Significant advances in…”
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Understanding the Effect of Crystalline Structural Transformation for Lead‐Free Inorganic Halide Perovskites Autor Shi, Ming, Li, Guanna, Tian, Wenming, Jin, Shengye, Tao, Xiaoping, Jiang, Yiming, Pidko, Evgeny A., Li, Rengui, Li, Can

“…Lead‐free inorganic halide perovskites have triggered appealing interests in various energy‐related applications including solar cells and photocatalysis…”
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Intrinsic Facet‐Dependent Reactivity of Well‐Defined BiOBr Nanosheets on Photocatalytic Water Splitting Autor Shi, Ming, Li, Guanna, Li, Jianming, Jin, Xu, Tao, Xiaoping, Zeng, Bin, Pidko, Evgeny A., Li, Rengui, Li, Can

“…Surface atomic arrangement and coordination of photocatalysts highly exposed to different crystal facets significantly affect the photoreactivity. However,…”
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Catalytic (de)hydrogenation promoted by non-precious metals - Co, Fe and Mn: recent advances in an emerging field Autor Filonenko, Georgy A, van Putten, Robbert, Hensen, Emiel J M, Pidko, Evgeny A

“…Catalytic hydrogenation and dehydrogenation reactions form the core of the modern chemical industry. This vast class of reactions is found in any part of…”
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Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities Autor Vogiatzis, Konstantinos D, Polynski, Mikhail V, Kirkland, Justin K, Townsend, Jacob, Hashemi, Ali, Liu, Chong, Pidko, Evgeny A

“…Computational chemistry provides a versatile toolbox for studying mechanistic details of catalytic reactions and holds promise to deliver practical strategies…”
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Heterogeneous and homogeneous catalysis for the hydrogenation of carboxylic acid derivatives: history, advances and future directions Autor Pritchard, James, Filonenko, Georgy A, van Putten, Robbert, Hensen, Emiel J M, Pidko, Evgeny A

“…The catalytic reduction of carboxylic acid derivatives has witnessed a rapid development in recent years. These reactions, involving molecular hydrogen as the…”
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Single-site trinuclear copper oxygen clusters in mordenite for selective conversion of methane to methanol Autor Grundner, Sebastian, Markovits, Monica A.C., Li, Guanna, Tromp, Moniek, Pidko, Evgeny A., Hensen, Emiel J.M., Jentys, Andreas, Sanchez-Sanchez, Maricruz, Lercher, Johannes A.

“…Copper-exchanged zeolites with mordenite structure mimic the nuclearity and reactivity of active sites in particulate methane monooxygenase, which are enzymes…”
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Performance of homogeneous catalysts viewed in dynamics Autor Yang, Wenjun, Filonenko, Georgy A, Pidko, Evgeny A

“…Effective assessment of catalytic performance is the foundation for the rational design and development of new catalysts with superior performance. The…”
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Solvent-mediated outer-sphere CO2 electro-reduction mechanism over the Ag111 surface Autor Sinha, Vivek, Khramenkova, Elena, Pidko, Evgeny A

“…The electrocatalytic CO2 reduction reaction (CO2RR) is one of the key technologies of the clean energy economy. Molecular-level understanding of the CO2RR…”
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Robust and efficient hydrogenation of carbonyl compounds catalysed by mixed donor Mn(I) pincer complexes Autor Yang, Wenjun, Chernyshov, Ivan Yu, van Schendel, Robin K. A., Weber, Manuela, Müller, Christian, Filonenko, Georgy A., Pidko, Evgeny A.

“…Any catalyst should be efficient and stable to be implemented in practice. This requirement is particularly valid for manganese hydrogenation catalysts. While…”
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Stability and reactivity of copper oxo-clusters in ZSM-5 zeolite for selective methane oxidation to methanol Autor Li, Guanna, Vassilev, Peter, Sanchez-Sanchez, Maricruz, Lercher, Johannes A., Hensen, Emiel J.M., Pidko, Evgeny A.

“…[Display omitted] •Cu speciation in ZSM-5 zeolite depends on the conditions of thermochemical activation.•Trinuclear [Cu3O3]2+ cationic clusters are…”
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Stable Mo/HZSM-5 methane dehydroaromatization catalysts optimized for high-temperature calcination-regeneration Autor Kosinov, Nikolay, Coumans, Ferdy J.A.G., Li, Guanna, Uslamin, Evgeny, Mezari, Brahim, Wijpkema, Alexandra S.G., Pidko, Evgeny A., Hensen, Emiel J.M.

“…[Display omitted] •High-temperature stability of Mo/HZSM-5 composite studied.•Mo content is the key parameter.•Novel isothermal (700°C) reaction – air…”
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Mechanism of Brønsted acid-catalyzed conversion of carbohydrates Autor Yang, Gang, Pidko, Evgeny A., Hensen, Emiel J.M.

“…Potential Brønsted acid-catalyzed glucose and fructose conversion routes to levulinic acid have been studied by DFT calculations. The most favorable mechanisms…”
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Relationship between acidity and catalytic reactivity of faujasite zeolite: A periodic DFT study Autor Liu, Chong, Li, Guanna, Hensen, Emiel J.M., Pidko, Evgeny A.

“…[Display omitted] •Relationships between acidity and reactivity of faujasites were studied by DFT calculations.•Multinuclear EFAl species enhance catalytic…”
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Confined Carbon Mediating Dehydroaromatization of Methane over Mo/ZSM‐5 Autor Kosinov, Nikolay, Wijpkema, Alexandra S. G., Uslamin, Evgeny, Rohling, Roderigh, Coumans, Ferdy J. A. G., Mezari, Brahim, Parastaev, Alexander, Poryvaev, Artem S., Fedin, Matvey V., Pidko, Evgeny A., Hensen, Emiel J. M.

“…Non‐oxidative dehydroaromatization of methane (MDA) is a promising catalytic process for direct valorization of natural gas to liquid hydrocarbons. The…”
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Hydrocarbon Synthesis via Photoenzymatic Decarboxylation of Carboxylic Acids Autor Zhang, Wuyuan, Ma, Ming, Huijbers, Mieke M E, Filonenko, Georgy A, Pidko, Evgeny A, van Schie, Morten, de Boer, Sabrina, Burek, Bastien O, Bloh, Jonathan Z, van Berkel, Willem J H, Smith, Wilson A, Hollmann, Frank

“…A recently discovered photodecarboxylase from Chlorella variabilis NC64A ( CvFAP) bears the promise for the efficient and selective synthesis of hydrocarbons…”
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Highly Efficient Reversible Hydrogenation of Carbon Dioxide to Formates Using a Ruthenium PNP-Pincer Catalyst Autor Filonenko, Georgy A., van Putten, Robbert, Schulpen, Erik N., Hensen, Emiel J. M., Pidko, Evgeny A.

“…The use of hydrogen as a fuel requires both safe and robust technologies for its storage and transportation. Formic acid (FA) produced by the catalytic…”
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Scaling Relations for Acidity and Reactivity of Zeolites Autor Liu, Chong, Tranca, Ionut, van Santen, Rutger A, Hensen, Emiel J M, Pidko, Evgeny A

“…Zeolites are widely applied as solid acid catalysts in various technological processes. In this work we have computationally investigated how catalytic…”
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Understanding the Anomalous Alkane Selectivity of ZIF-7 in the Separation of Light Alkane/Alkene Mixtures Autor van den Bergh, Johan, Gücüyener, Canan, Pidko, Evgeny A., Hensen, Emiel J. M., Gascon, Jorge, Kapteijn, Freek

“…C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF‐7 through a gate‐opening…”
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