Publications from ERA Chair project

JPC_C "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 (2024), DOI: 10.1021/acs.jpcc.3c07064, articles ASAP, link

Open access

JPC__C

 

Appl Cat B

 

"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

Funded by

GACR    ARIS

TOC 21

 

Pub20_JCOU

 

"Temperature switching of product selectivity in CO2 reduction on Cu/In2O3 catalysts"
T. Stryšovský, M. Kajabová, R. Prucek, A. Panáček, K. Simkovičová, Š. Vajda, Z. Bastl and L. Kvítek, Journal of CO2 Utilization 77102617 (2023), DOI: 10.1016/j.jcou.2023.102617, link

Open access

TOC_20

 

 

19_acscatal

 

"Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity"
S. A. Kadam, S. Sandoval, Z. Bastl, K. Simkovičová, L. Kvítek, J. Jašík, J.E. Olszówka, S. Valtera, M. Vaidulych, J. Morávková, P. Sazama, D. Kubička, A. Travert,  J. A. van Bokhoven, A. Fortunelli,  A. Kleibert, M. Kalbáč, and Š. Vajda, ACS Catal 13, 13484–13505 (2023), DOI: 10.1021/acscatal.3c02592, link

Open access

TOC-19

 

PCCP 18

"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 

RSC

 

NatComm "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

 

18_TOC
Faraday Cover "Nanoalloy structures and catalysis part 1: general discussion", Faraday Discuss. 242, 106-128 (2023), DOI: 10.1039/D2FD90085H, link

Open access

 

Nanoalloys
Faraday Cover

 

"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

 

TOC 16
Pub 17_cover

 

"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. C126, 18306-18312 (2022), DOI: 10.1021/acs.jpcc.2c04921, link,
Supplementary Cover

Open access

 

TOC 17
CO2 hydrogenation

 

"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

 

TOC15
Pub14 cover

 

"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

 

TOC14
Pub 13 cover

 

“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

 

TOC13
Cover_pub12

 

“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. Interfaces13, 53363-53374 (2021)  DOI: 10.1021/acsami.1c06714, link

 

12_TOC
Pub11 cover

 

“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

 

11_TOC
10_cover

 

“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

 

10_TOC
Cover 9

 

“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

 

09_TOC
Cover 8

 

“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

 

TOC 8
Cover 7 “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 TOC 7
06_cover

 

“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

AIP logo

 

05_cover

 

“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

 

TOC 05
Cover 4

 

“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

TOC 4
Cover 3 “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

TOC 3
02_cover

 

“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

 

TOC 02
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
Pub_01

 

“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

TOC 1