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- 1.0544599 - ÚFCH JH 2022 RIV US eng J - Journal Article
Liu, Y. - Halder, A. - Seifert, S. - Marcella, N. - Vajda, Štefan - Frenkel, A. I.
Probing active sites in Cux Pdy cluster catalysts by machine-learning-assisted X-ray absorption spectroscopy.
ACS Applied Materials and Interfaces. Roč. 13, č. 45 (2021), s. 53363-53374. ISSN 1944-8244. E-ISSN 1944-8252
EU Projects: European Commission(XE) 810310 - J. Heyrovsky Chair
Institutional support: RVO:61388955
Keywords : deep learning * machine learning * nanocatalysts * nanoclusters * size-selected clusters * xanes
OECD category: Physical chemistry
Impact factor: 10.383, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0321438File Download Size Commentary Version Access 0544599.pdf 5 5.5 MB Publisher’s postprint require 0544599preprint.pdf 0 5.3 MB Author’s postprint open-access - 2.0543566 - ÚFCH JH 2022 RIV US eng J - Journal Article
Halder, A. - Lenardi, C. - Timoshenko, J. - Mravak, A. - Yang, B. - Kolipaka, L. K. - Piazzoni, C. - Seifert, S. - Bonačić-Koutecký, V. - Frenkel, A. I. - Milani, P. - Vajda, Štefan
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.
ACS Catalysis. Roč. 11, č. 10 (2021), s. 6210-6224. ISSN 2155-5435. E-ISSN 2155-5435
EU Projects: European Commission(XE) 810310
Institutional support: RVO:61388955
Keywords : CO conversion 2 * copper cluster * dft * gisaxs * reaction mechanism * support effect * xanes * xps
OECD category: Physical chemistry
Impact factor: 13.700, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0320753File Download Size Commentary Version Access 0543566.pdf 3 8.6 MB Publisher’s postprint require - 3.0524177 - ÚFCH JH 2021 RIV US eng J - Journal Article
Zandkarimi, B. - Sun, G. - Halder, A. - Seifert, S. - Vajda, Štefan - Sautet, P. - Alexandrova, A. N.
Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.
Journal of Physical Chemistry C. Roč. 124, č. 18 (2020), s. 10057-10066. ISSN 1932-7447. E-ISSN 1932-7455
EU Projects: European Commission(XE) 810310
Institutional support: RVO:61388955
Keywords : X-ray absorption near edge structure * nanoclusters * spectroscopy
OECD category: Physical chemistry
Impact factor: 4.126, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0308545File Download Size Commentary Version Access 0524177.pdf 2 3.1 MB Publisher’s postprint require - 4.0523057 - ÚFCH JH 2021 RIV DE eng J - Journal Article
Halder, A. - Ha, M.-A. - Zhai, H. - Yang, B. - Pellin, M. J. - Seifert, S. - Alexandrova, A. N. - Vajda, Štefan
Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics.
ChemCatChem. Roč. 12, JAN 2020 (2020), s. 1307-1315. ISSN 1867-3880. E-ISSN 1867-3899
EU Projects: European Commission(XE) 810310
Institutional support: RVO:61388955
Keywords : size * catalysts * reactivity * ensemble * ethylene * route * tio2 * cluster dynamics * cyclohexane oxidative dehydrogenation * deposited clusters * selectivity control * size-selected subnanometer clusters
OECD category: Physical chemistry
Impact factor: 5.686, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0307465File Download Size Commentary Version Access 0523057.pdf 0 1.5 MB Publisher’s postprint require - 5.0510111 - ÚFCH JH 2020 RIV US eng J - Journal Article
Liu, Y. - Marcella, N. - Timoshenko, J. - Halder, A. - Yang, B. - Kolipaka, L. - Pellin, M. J. - Seifert, S. - Vajda, Štefan - Liu, P. - Frenkel, A. I.
Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning.
Journal of Chemical Physics. Roč. 151, č. 16 (2019), č. článku 164201. ISSN 0021-9606. E-ISSN 1089-7690
EU Projects: European Commission(XE) 810310
Institutional support: RVO:61388955
Keywords : XANES spectra * Copper alloys * metal ions
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0300663File Download Size Commentary Version Access 0510111.pdf 1 2.6 MB open access Publisher’s postprint open-access - 6.0510109 - ÚFCH JH 2020 RIV US eng J - Journal Article
Yang, B. - Yu, X. - Halder, A. - Zhang, X. - Zhou, X. - Mannie, G. J. A. - Tyo, E. C. - Pellin, M. J. - Seifert, S. - Su, D. - Vajda, Štefan
Dynamic Interplay between Copper Tetramers and Iron Oxide Boosting CO2 Conversion to Methanol and Hydrocarbons under Mild Conditions.
ACS Sustainable Chemistry & Engineering. Roč. 7, č. 17 (2019), s. 14435-14442. ISSN 2168-0485. E-ISSN 2168-0485
EU Projects: European Commission(XE) 810310
Institutional support: RVO:61388955
Keywords : oxygen reduction reaction * carbon-dioxide * active-sites * catalysts * hydrogenation * cu * clusters * water * xps * interface * CO2 conversion
OECD category: Physical chemistry
Impact factor: 7.632, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0300660File Download Size Commentary Version Access 0510109.pdf 1 4.3 MB Publisher’s postprint require