 | "Combined hydrothermal and mechanochemical control of structural modifications of zirconium dioxide for catalytic applications", V. Sydorchuk, S. Levytska, O. Kiziun, L. Vasylechko, K. Simkovicova, S. Valtera, B. E. Billinghurts, S. Vajda, J. E. Olszowka, RSCMechanochem (2024), Advance Article, DOI: doi.org/10.1039/D4MR00094C, link Open access |  |
 | "Nanoplasmonic sensing to study CO and oxygen adsorption and CO oxidation on size-selected Pt10 clusters", B. Demirdjian, M. Vaidulych, I. Ozerov, F. Bedu, Š. Vajda, C. R. Henry, Nanoscale (2024), DOI: 10.1039/d4nr02682a, link Open access |
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 | "Unveiling inequality of atoms in ultrasmall Pt clusters: oxygen adsorption limited to the uppermost atomic layer", F. Loi, L. Bignardi, D. Perco, A. Berti, P. Lacovig, S. Lizzit, A. Kartouzian, U. Heiz, D. Alfè, A. Baraldi, Small Struct. 2400250 (2024), DOI:10.1002/sstr.202400250, link Open access
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 | "Electron traps as a valuable criterium of iron oxide catalysts' performance in CO2 hydrogenation", M. Kajabová, T. Stryšovský, A. Bikbashev, Z. Kovářová, K. Simkovičová, R. Prucek, A. Panáček, P. Novák, J. Kopp, J. Kašlík, M. Petr, A. Malara, P. Frontera, M. Takashima, Š. Vajda, B. Ohtani, L. Kvítek, Journal of CO2 Utilization 85, 102863 (2024), DOI: 10.1016/j.jcou.2024.102863, link Open access |
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 | "Low-temperature selective oxidative dehydrogenation (ODH) of cyclohexene by titania-supported nanostructured Pd, Pt and Pt-Pd catalytic films", M. Vaidulych, Li-Ya Yeh, R. Hoehner, J. Jašík, S. A. Kadam, M. Vorochta, I. Khalakhan, J. Hagen, S. Vajda, Journal of Physical Chemistry C 128, 3180 (2024), DOI: 10.1021/acs.jpcc.3c07064, link Open access |
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| "Selective glucose oxidation to glucaric acid using bimetallic catalysts: Lattice expansion or electronic structure effect?", Ž. Lavrič, J. Teržan, A. Kroflič, J. Zavašnik, J. E. Olszówka, Š. Vajda, M. Huš, M. Grilc, B. Likozar, Appl. Catal. B 343, 123455 (2024), DOI: 10.1016/j.apcatb.2023.123455, link Open access |
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| "Temperature switching of product selectivity in CO2 reduction on Cu/In2O3 catalysts" Open access |
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| "Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity" Open access |
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 | "Stability and properties of new-generation metal and metal-oxide clusters down to subnanometer scale" M. P. de Lara-Castells, C. Puzzarini, V. Bonačić-Koutecký, M. A. Lopez-Quintela, and S. Vajda, Phys. Chem. Chem. Phys. 25, 15081-15084 (2023), Editorial, DOI: 10.1039/d3cp90063k, link |
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 | "Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles", J. Vijayakumar, T.M. Savchenko, D.M. Bracher, G. Lumbeeck, A. Béché, J. Verbeeck, Š. Vajda, F. Nolting, C.A.F. Vaz, A. Kleibert, Nat Commun 14 (2023), DOI: 10.1038/s41467-023-35846-0, link Open access
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 | "Nanoalloy structures and catalysis part 1: general discussion", Faraday Discuss. 242, 106-128 (2023), DOI: 10.1039/D2FD90085H, link Open access |
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| "Oxidative dehydrogenation of cyclohexene on atomically precise subnanometer Cu4-nPdn (0≤n≤4) tetramer clusters: The effect of cluster composition and support on performance", J. Jašík, S. Valtera, M. Vaidulych, M. Bunian, Y. Lei, A. Halder, H. Tarábková, M. Jindra, L. Kavan, O. Frank, S. Bartling and Š. Vajda, Faraday Discuss. 242, 70-93 (2023), Advance Article, DOI: 10.1039/D2FD00108J, link Open access |
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| "Mechanism of Catalytic CO2 Hydrogenation to Methane and Methanol Using a Bimetallic Cu3Pd Cluster at a Zirconia Support", A. Mravak, S. Vajda, Vlasta Bonačić-Koutecký, J. Phys. Chem. C, 126, 18306-18312 (2022), DOI: 10.1021/acs.jpcc.2c04921, link, Open access |
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| "Hydrogenation of CO2 on Nanostructured Cu/FeOx Catalysts: The Effect of Morphology and Cu Load on Selectivity", K. Simkovičová, M. I. Qadir, N. Žilková, J. E. Olszówka, P. Sialini, L. Kvítek, and Š. Vajda, Catalysts, 12, 516 (2022), DOI: 10.3390/catal12050516, link Open access |
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| "Exploring the Materials Space in the Smallest Particle Size Range: From Heterogeneous Catalysis to Electrocatalysis and Photocatalysis", J. Jašík, A. Fortunelli and Š. Vajda, Phys. Chem. Chem. Phys., 24, 12083-12115 (2022), DOI: 10.1039/D1CP05677H, 2022 PCCP HOT Article and PCCP Perspectives, Inside Back Cover, link Open access |
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| “Atom by Atom Built Subnanometer Copper Cluster Catalyst for the Highly Selective Oxidative Dehydrogenation of Cyclohexene”, S. Valtera, J. Jašík, M. Vaidulych, J. E. Olszówka, M. Zlámalová, H. Tarábková, L. Kavan, and Š. Vajda, J. Chem. Phys., 156, 114302 (2022), DOI: 10.1063/5.0065350, link Open access |
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| “Probing Active Sites in CuxPdy Cluster Catalysts by Machine Learning-Assisted X ray Absorption Spectroscopy”, Y. Liu, A. Halder, S. Seifert, N. Marcella, S. Vajda, and A. I. Frenkel, ACS Appl. Mater. Interfaces, 13, 53363-53374 (2021) DOI: 10.1021/acsami.1c06714, link |
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| “CO2 Methanation on Cu-Cluster Decorated Zirconia Supports with Different Morphology: A Combined Experimental In Situ GIXANES/ GISAXS, Ex Situ XPS and Theoretical DFT Study”, A. Halder, C. Lenardi, J. Timoshenko, A. Mravak, B. Yang, L. K. Kolipaka, C. Piazzoni, S. Seifert, V. Bonačić-Koutecký, A. I. Frenkel, P. Milani, S. Vajda, ACS Catal, 11, 6210-6224 (2021), DOI: 10.1021/acscatal.0c05029, link |
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| “Use of an optofluidic microreactor and Cu nanoparticles synthesized in ionic liquid and embedded in TiO2 for an efficient photoreduction of CO2 to methanol”, J. Albo, M. I. Qadir, M. Samperi, J. Alves Fernandes, I. Pedro and J. Dupont, Chemical Engineering Journal, 404, 126643, (2021), DOI:10.1016/j.cej.2020.126643, link |
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| “Reverse Semi‐Combustion Driven by Titanium Dioxide‐Ionic Liquid Hybrid Photocatalyst”, M. I. Qadir, M. Zanatta, J. Pinto, I. Vicente, A. Gual, E. Smith, B. A. D. Neto, P. E. N. de Souza, S. Khan, J. Dupont and J. A. Fernandes, ChemSusChem, 13, 1-7 (2020). DOI: 10.1002/cssc.202001717, link, Open access |
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| “Fast CO2 hydrogenation to formic acid catalyzed by an Ir(PSiP) pincer hydride in a DMSO/water/ionic liquid solvent system”, R. Webber, M. I. Qadir, E. Sola, M. Martín, E. Suárez and J. Dupont, Catalysis Communications, 146, 106125, (2020), DOI: 10.1016/j.catcom.2020.106125, link Open access |
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 | “Interpreting operando XANES of Surface-supported Subnanometer Clusters: When Fluxionality, Oxidation State and Size Effect Fight”, B. Zandkarimi, G. Sun, A. Halder, S. Seifert, S. Vajda, P. Sautet, A. Alexandrova, J. Chem. Phys. C, 124, 10057−10066 (2020), DOI:10.1021/acs.jpcc.0c02823, link |  |
| “Catalytic properties of model supported nanoparticles”, C. T. Campbell, N. Lopez, S. Vajda, J. Chem. Phys., 152, 140401 (2020), DOI: 10.1063/5.0007579, - Special Issue “Catalytic Properties of Model Supported Nanoparticles”, Guest Editors: C. T. Campbell, N. Lopez and S. Vajda, link, Editorial Open access |
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| “Structural reversibility of Cu doped NU-1000 MOFs under hydrogenation conditions”, A. Halder, S. Lee, B. Yang, M. J. Pellin, S. Vajda, Y. Yang, Z. Li, O. K. Farha, J. T. Hupp, J. Chem. Phys., 152, 084703 (2020), DOI: 10.1063/1.5130600, link, Featured Paper & Front Cover, Open access |
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| “Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics", A. Halder, M.-A. Ha, H. Zhai, B. Yang, M. J. Pellin, S. Seifert, A. N. Alexandrova, S. Vajda, ChemCatChem, 12, 1307-1315 (2020) DOI: 10.1002/cctc.201901795, link , Front Cover, Open access |  |
 | “In situ Formed Ir3Li Nanoparticles as Active Cathode Material in Li-Oxygen Batteries”, A. Halder, A. Ngo, X. Luo, H.-H. Wang, J. G. Wen, P. Abbasi, M. Asadi, C. Zhang, D. Miller, D. Zhang, J. Lu, P. C. Redfern, K. C. Lau, R. Amine, R. S. Assary, Y. J. Lee, A. Salehi-Khojin, S. Vajda, K. Amine, L. A. Curtiss, J. Phys. Chem. A, 123, 10047-10056 (2019) DOI: 10.1021/acs.jpca.9b06875, link Open access |  |
| “Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning”, Y. Liu, N. Marcella, J. Timoshenko, A. Halder, B. Yang, L. Kolipaka, M. J. Pellin, S. Seifert, S. Vajda, P. Liu, A. I. Frenkel, J. Chem. Phys., 151, 164201 (2019) DOI: 10.1063/1.5126597, link, Featured Article, 2019 Journal of Chemical Physics Edge Article, Front Cover, Open access |
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| Promoted to - “Top Articles in Surfaces, Interfaces, and Materials” of J. Chem. Phys., link - Top-10 Science and Technology Achievements of 2019 of Brookhaven National Laboratory: Machine-Learning Analysis of X-ray Data Picks Out Key Catalytic Properties, link | ||
| “Dynamic Interplay between Copper Tetramers and Iron Oxide Boosting CO2 Conversion to Methanol and Hydrocarbons under Mild Conditions”, B. Yang, X. Yu, A. Halder, X. Zhang, X. Zhou, G. J. A. Mannie, E. Tyo, M. J. Pellin, S. Seifert, D. Su, S. Vajda, ACS Sustainable Chem. Eng., 7, 14435−14442 (2019), DOI: 10.1021/acssuschemeng.9b01561, link Open access |  |
