Publications from the ERA Chair Project


"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


"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


"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


"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


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, Editor's Pick, link, Front Cover


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.,  2019, 7, p. 14435−14442, DOI: 10.1021/acssuschemeng.9b01561, link