ChemE/Inorganic Systems Engineering

Feng, Z., Tang, C., Zhang, P., Li, K., Li, G., Wang, J., Feng, Z. & Li, C., 2023, In: Journal of the American Chemical Society. 145, 23, p. 12663-12672 10 p.

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27 Citations (Scopus)

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Direct discerning reaction pathways in methanol-to-hydrocarbons by transient operation – FASPA

Liu, C., Uslamin, E. A., Pidko, E. A. & Kapteijn, F., 2023, In: Chemical Engineering Journal. 453, 14 p., 139696.

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4 Citations (Scopus)

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HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts

Hashemi, A., Bougueroua, S., Gaigeot, M. P. & Pidko, E. A., 2023, In: Journal of Chemical Information and Modeling. 63, 19, p. 6081-6094 14 p.

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Homogeneous Catalysis in Plastic Waste Upcycling: A DFT Study on the Role of Imperfections in Polymer Chains

Kolganov, A. A., Avadakkam, S. A. & Pidko, E. A., 2023, In: ACS Catalysis. 13, 20, p. 13310-13318

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Machine Learning Approach for the Prediction of Eutectic Temperatures for Metal-Free Deep Eutectic Solvents

Lavrinenko, A. K., Chernyshov, I. Y. & Pidko, E. A., 2023, In: ACS Sustainable Chemistry and Engineering. 11, 42, p. 15492-15502 11 p.

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Methane dehydroaromatization catalyzed by Mo/ZSM-5: location-steered activity and mechanism

Li, G., 2023, In: Chemical Communications. 59, 73, p. 10932-10935 4 p.

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Model-based evaluation and data requirements for parallel kinetic experimentation and data-driven reaction identification and optimization

Jiscoot, N., Uslamin, E. & Pidko, E. A., 2023, In: Digital Discovery. 2, 4, p. 994-1005 12 p.

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Performance of homogeneous catalysts viewed in dynamics

Yang, W., Filonenko, G. A. & Pidko, E. A., 2023, In: Chemical Communications. 59, 13, p. 1757-1768 12 p.

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8 Citations (Scopus)

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Promoting Photocatalytic Activity of NH₂-MIL-125(Ti) for H₂ Evolution Reaction through Creation of Ti^III- and Co^I-Based Proton Reduction Sites

Kavun, V., Uslamin, E., van der Linden, B., Canossa, S., Goryachev, A., Bos, E. E., Garcia Santaclara, J., Smolentsev, G., Repo, E. & van der Veen, M. A., 2023, In: ACS applied materials & interfaces. 15, 47, p. 54590-54601

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Revealing Main Reaction Paths to Olefins and Aromatics in Methanol-to-Hydrocarbons over H-ZSM-5 by Isotope Labeling

Liu, C., Uslamin, E. A., Pidko, E. A. & Kapteijn, F., 2023, In: ACS Catalysis. 13, 8, p. 5205-5212

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Speciation and Reactivity Control of Cu-Oxo Clusters via Extraframework Al in Mordenite for Methane Oxidation

Tao, L., Khramenkova, E., Lee, I., Ikuno, T., Khare, R., Jentys, A., Fulton, J. L., Kolganov, A. A., Pidko, E. A., Sanchez-Sanchez, M. & Lercher, J. A., 2023, In: Journal of the American Chemical Society. 145, 32, p. 17710-17719 10 p.

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2022

An integrated approach to the key parameters in methanol-to-olefins reaction catalyzed by MFI/MEL zeolite materials

Liu, C., Uslamin, E. A., van Vreeswijk, S. H., Yarulina, I., Ganapathy, S., Weckhuysen, B. M., Kapteijn, F. & Pidko, E. A., 2022, In: Chinese Journal of Catalysis. 43, 7, p. 1879-1893

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Automation and Microfluidics for the Efficient, Fast, and Focused Reaction Development of Asymmetric Hydrogenation Catalysis

van Putten, R., Eyke, N. S., Baumgartner, L. M., Schultz, V. L., Filonenko, G. A., Jensen, K. F. & Pidko, E. A., 2022, In: ChemSusChem. 15, 14, 8 p., e202200333.

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3 Citations (Scopus)

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Basic Promotors Impact Thermodynamics and Catalyst Speciation in Homogeneous Carbonyl Hydrogenation

Yang, W., Kalavalapalli, T. Y., Krieger, A. M., Khvorost, T. A., Chernyshov, I. Y., Weber, M., Uslamin, E. A., Pidko, E. A. & Filonenko, G. A., 2022, In: Journal of the American Chemical Society. 144, p. 8129-8137

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Bulk and surface transformations of Ga₂O₃ nanoparticle catalysts for propane dehydrogenation induced by a H₂ treatment

Castro-Fernández, P., Mance, D., Liu, C., Abdala, P. M., Willinger, E., Rossinelli, A. A., Serykh, A. I., Pidko, E. A., Copéret, C., Fedorov, A. & Müller, C. R., 2022, In: Journal of Catalysis. 408, p. 155-164

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14 Citations (Scopus)

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ChemSpaX: Exploration of chemical space by automated functionalization of molecular scaffold

Kalikadien, A. V., Pidko, E. A. & Sinha, V., 2022, In: Digital Discovery. 1, p. 8-25 19 p.

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CO2 hydrogenation to methanol over Cd4/TiO2 catalyst: Insight into multifunctional interface

Li, G., Meeprasert, J., Wang, J., Li, C. & Pidko, E. A., 2022, In: ChemCatChem. 14, 5, 11 p., e202101646.

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Computational mechanistic studies of ruthenium catalysed methanol dehydrogenation

de Zwart, F. J., Sinha, V., Trincado, M., Grützmacher, H. & de Bruin, B., 2022, In: Dalton transactions (Cambridge, England : 2003). 51, 8, p. 3019-3026

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Global optimization of extraframework ensembles in zeolites: structural analysis of extraframework aluminum species in MOR and MFI zeolites

Khramenkova, E. V., Venkatraman, H., Soethout, V. & Pidko, E. A., 2022, In: Physical Chemistry Chemical Physics. 138, 8 p.

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Highly dispersed Cd cluster supported on TiO2 as an efficient catalyst for CO2 hydrogenation to methanol

Wang, J., Meeprasert, J., Han, Z., Wang, H., Feng, Z., Tang, C., Sha, F., Tang, S., Pidko, E. A. & More Authors, 2022, In: Chinese Journal of Catalysis. 43, 3, p. 761-770

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High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified ZSM-5

Liu, C., Uslamin, E. A., Khramenkova, E., Sireci, E., Ouwehand, L. T. L. J., Ganapathy, S., Kapteijn, F. & Pidko, E. A., 2022, In: ACS Catalysis. 12, 5, p. 3189-3200

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24 Citations (Scopus)

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Improved catalyst formulations for the conversion of glycerol to bio-based aromatics

He, S., Kramer, T. S., Klein, F. G. H., Chandel, A., Tegudeer, Z., Heeres, A., Liu, C., Pidko, E. & Heeres, H. J., 2022, In: Applied Catalysis A: General. 629, 13 p., 118393.

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5 Citations (Scopus)

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Investigating the role of potassium cations during electrochemical CO₂ reduction

Chandrashekar, S., van Montfort, H. P. I., Bohra, D., Filonenko, G., Geerlings, H., Burdyny, T. & Smith, W. A., 2022, In: Nanoscale. 14, 38, p. 14185-14190 6 p.

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Polymer Modification of Surface Electronic Properties of Electrocatalysts

Venugopal, A., Egberts, L. H. T., Meeprasert, J., Pidko, E. A., Dam, B., Burdyny, T., Sinha, V. & Smith, W. A., 2022, In: ACS Energy Letters. 7, p. 1586-1593

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Property-activity relations of multifunctional reactive ensembles in cation-exchanged zeolites: a case study of methane activation on Zn²⁺-modified zeolite BEA

Kolganov, A. A., Gabrienko, A. A., Chernyshov, I. Y., Stepanov, A. G. & Pidko, E. A., 2022, In: Physical Chemistry Chemical Physics. 24, 11, p. 6492-6504

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4 Citations (Scopus)

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ReNeGate: A Reaction Network Graph-Theoretical Tool for Automated Mechanistic Studies in Computational Homogeneous Catalysis

Hashemi, A., Bougueroua, S., Gaigeot, M. P. & Pidko, E. A., 2022, In: Journal of chemical theory and computation. 18, 12, p. 7470-7482 13 p.

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Revisiting syntheses of Fe₃O₄nanoparticles in water and lower alcohols and their resistive switching properties

Mikhailova, M. A., Chernyshov, I. Y., Illarionov, G. A., Kolchanov, D. S., Kuchur, O. A., Vinogradov, A. V., Morozova, S. M. & Morozov, M. I., 2022, In: Journal of Materials Chemistry C. 10, 1, p. 251-264

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Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite

Lashchinskaya, Z. N., Gabrienko, A. A., Kolganov, A. A., Pidko, E. A. & Stepanov, A. G., 2022, In: Journal of Physical Chemistry C. 126, 15, p. 6570-6577

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6 Citations (Scopus)

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Solvent-Assisted Ketone Reduction by a Homogeneous Mn Catalyst

Krieger, A. M., Sinha, V., Li, G. & Pidko, E. A., 2022, In: Organometallics. 41, 14, p. 1829-1835 7 p.

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Solvent-mediated outer-sphere CO2 electro-reduction mechanism over the Ag111 surface

Sinha, V., Khramenkova, E. & Pidko, E. A., 2022, In: Chemical Science. 13, 13, p. 3803–3808 6 p.

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Switching Between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) pincer complexes

Yang, W., Chernyshov, I. Y., Weber, M., Pidko, E. A. & Filonenko, G. A., 2022, In: ACS Catalysis. 12, 17, p. 10818-10825

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Two step activation of Ru-PN³P pincer catalysts for CO₂ hydrogenation

Tossaint, A. S., Rebreyend, C., Sinha, V., Weber, M., Canossa, S., Pidko, E. A. & Filonenko, G. A., 2022, In: Catalysis Science and Technology. 6 p.

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2021

Accurate and rapid prediction of pK_aof transition metal complexes: semiempirical quantum chemistry with a data-augmented approach

Sinha, V., Laan, J. J. & Pidko, E. A., 2021, In: Physical Chemistry Chemical Physics. 23, 4, p. 2557-2567

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Active Sites in a Heterogeneous Organometallic Catalyst for the Polymerization of Ethylene

Culver, D. B., Dorn, R. W., Venkatesh, A., Meeprasert, J., Rossini, A. J., Pidko, E. A., Lipton, A. S., Lief, G. R. & Conley, M. P., 2021, In: ACS Central Science. 7, 7, p. 1225-1231

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Automated high-resolution sampling and multi-mode operando spectroscopy of (bio-)chemical reactions for kinetic analysis, reaction characterization, and quality control

van Putten, R., Uslamin, E. & Pidko, E. A., 2021, In: Invention Disclosure. 1, 5 p., 100002.

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Catalytic conversion of glycerol to bio-based aromatics using H-ZSM-5 in combination with various binders

He, S., Goldhoorn, H. R., Tegudeer, Z., Chandel, A., Heeres, A., Liu, C., Pidko, E. & Heeres, H. J., 2021, In: Fuel Processing Technology. 221, 12 p., 106944.

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Catalytic conversion of pure glycerol over an un-modified H-ZSM-5 zeolite to bio-based aromatics

He, S., Zuur, K., Santosa, D. S., Heeres, A., Liu, C., Pidko, E. & Heeres, H. J., 2021, In: Applied Catalysis B: Environmental. 281, 14 p., 119467.

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Direct Diels-Alder reactions of furfural derivatives with maleimides

Cioc, R. C., Lutz, M., Pidko, E. A., Crockatt, M., Van Der Waal, J. C. & Bruijnincx, P. C. A., 2021, In: Green Chemistry. 23, 1, p. 367-373

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Dry reforming of methane to test passivation stability of Ni/ Al₂O₃ catalysts

Franz, R., Tichelaar, F. D., Uslamin, E. A. & Pidko, E. A., 2021, In: Applied Catalysis A: General. 612, 7 p., 117987.

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Embryonic zeolites for highly efficient synthesis of dimethyl ether from syngas

Palčić, A., Jaén, S. N., Wu, D., Cai, M., Liu, C., Pidko, E. A., Khodakov, A. Y., Ordomsky, V. & Valtchev, V., 2021, In: Microporous and Mesoporous Materials. 322, 111138.

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Environmentally Sensitive Luminescence Reveals Spatial Confinement, Dynamics, and Their Molecular Weight Dependence in a Polymer Glass

Picken, S. J. & Filonenko, G. A., 2021, In: ACS Applied Polymer Materials. 3, 10, p. 4977-4983 7 p.

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Gold and silver catalyzed reductive amination of aromatic carboxylic acids to benzylic amines

Coeck, R., Meeprasert, J., Li, G., Altantzis, T., Bals, S., Pidko, E. A. & De Vos, D., 2021, In: ACS Catalysis. 11, 13, p. 7672-7684 13 p.

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Homogeneous hydrogenation of saturated bicarbonate slurry to formates using multiphase catalysis

Rebreyend, C., Pidko, E. A. & Filonenko, G. A., 2021, In: Green Chemistry. 23, 22, p. 8848-8852

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Impact of Promoter Addition on the Regeneration of Ni/Al₂O₃ Dry Reforming Catalysts

Franz, R., Pinto, D., Uslamin, E. A., Urakawa, A. & Pidko, E. A., 2021, In: ChemCatChem. 13, 23, p. 5034-5046 13 p.

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In Silico Screening of Zeolites for High-Pressure Hydrogen Drying

Erdös, M., Geerdink, D. F., Martin-Calvo, A., Pidko, E. A., Van Den Broeke, L. J. P., Calero, S., Vlugt, T. J. H. & Moultos, O. A., 2021, In: ACS Applied Materials and Interfaces. 13, 7, p. 8383–8394

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Manganese-Mediated C-C Bond Formation: Alkoxycarbonylation of Organoboranes

Van Putten, R., Filonenko, G. A., Krieger, A. M., Lutz, M. & Pidko, E. A., 2021, In: Organometallics. 40, 6, p. 674-681 8 p.

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ChemE/Inorganic Systems Engineering

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