Papers
in press in September 2024
|
1. |
“First principles modeling of composites involving TiO2 clusters supported on M2C MXenes”, M. Keyhanian, N. García-Romeral, Á. Morales-García, F. Viñes, F. Illas, Phys. Chem. Chem. Phys., in press |
|
2. |
“Contrasting Metallic (Rh0)
and Carbidic (2D-Mo2C MXene) Surfaces in Olefin Hydrogenation
Provides Insights on the Origin of the Pairwise Hydrogen Addition”, L.
Meng, E. Pokochueva, Z. Chen, A. Fedorov, F. Viñes, F. Illas, I. Koptyug, ACS Catal., in press |
|
3. |
“Heterogenous
Catalysis in the Digital Age: Unlocking the Power of Data with Machine
Learning”, B. M.
Abraham, M. V. Jyothirmai, P. Sinha, F. Viñes, J. K. Singh, F. Illas, WIREs
Comput Mol Sci., in press |
|
4. |
“Selective electroreduction of
acetylene to 1,3-butadiene”, W. J. Teh, E. Romeo, S. Xi, B.
Rowley, F. Illas, F. Calle-Vallejo, B. S. Yeo, Nature Catal., in press |