Francesc Illas - Selected Publications#


1. Titania Nanoclusters versus Nanocrystals, O. Lamiel Garcia, A. Cuko, M. Calatayud, F. Illas, S. T. Bromley, Nanoscale, 9 (2017) 1049-1058 (Impact Factor: 7.76)

2. When anatase nanoparticles become bulk-like: Properties of realistic TiO2 nanoparticles in the 1 – 6 nm size range from all-electron relativistic density functional theory based calculations. O. Lamiel-Garcia, K. C. Ko, J. Y. Lee, S. T. Bromley, F. Illas, J. Chem. Theory and Comput., 13 (2017) 1785-1793 (Impact Factor: 5.301)

3. Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability. S. Posada, P. Ramírez, F. Viñes, P. Liu, F. Illas, J. A. Rodriguez, J. Am. Chem. Soc., 138 (2016) 8269-8278 (Impact Factor: 13.038)

4. Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and Activation. Ch. Kunkel, F. Viñes, F. Illas, Energy Environ. Sci., 9 (2016) 141-144 (Impact factor : 25.427)

5. Helical Folding-Induced Stabilization of Ferromagnetic polyradicals based on triarylmethyl radical derivatives., D. Reta Mañeru, I. de P. R. Moreira, F. Illas, J. Am. Chem. Soc., 138 (2016) 5271-5275 (Impact Factor: 13.038)

6. Discovery of the K4 Structure Formed by a Triangular π Radical Anion. A. Mizuno, Y. Shuku, R. Suizu, M. M. Matsushita, M. Tsuchiizu, D. Reta Mañeru, F. Illas, V. Robert, K. Awaga, J. Am. Chem. Soc., 137 (2015) 7612-7615 (Impact Factor: 13.038)

7. A New type of Strong Metal-Support Interaction and the Production of H2 through the Transformation of Water on Pt/CeO2(111) and Pt/CeOx/TiO2(110) catalysts. A. Bruix, J. A. Rodriguez, P. J. Ramírez, S. D. Senanayake, J. Evans, J. B. Park, D. Stacchiola, P. Liu, J. Hrbek and F. Illas, J. Am. Chem. Soc., 134 (2012) 8968-8974 (Impact Factor: 13.038)

8. Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water Gas Shift Reaction. J. A. Rodriguez, P. J. Ramírez, G. G. Asara, F. Viñes, J. Evans, P. Liu, J. M. Ricart, F. Illas, Angew. Chem. Int. Ed., 53 (2014) 11270-11274 (Impact Factor: 11.709)

9. Maximum Noble Metal Efficiency in Catalytic Materials: Atomically Dispersed Surface Platinum, A. Bruix, Y. Lykhach, I. Matolínová, A. Neitzel, T. Skála, N. Tsud, M. Vorokhta, V. Stetsovych, K. Ševčiková, J. Mysliveček, K. C. Prince, S. Bruyere, V. Potin, F. Illas, V. Matolín, J. Libuda, K. M. Neyman, Angew. Chem. Int. Ed. 53 (2014) 10525-10530 (Impact Factor: 11.709)

10. “Theoretical and Computational Aspects of Magnetic Organic Molecules”, S. N Datta, C. O Trindle, F. Illas, Imperial College Press, World Scientific Publishing, London, 2014, ISBN: 978-1-908977-21-2

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