مقاله‌های دارای تعهدات انتشار عمومی - Francesc Illasبیشتر بدانید
جای دیگری دردسترس نیست: ۴۹
MXenes: new horizons in catalysis
A Morales-Garcia, F Calle-Vallejo, F Illas
ACS Catalysis 10 (22), 13487-13503, 2020
تعهدات: European Commission, Government of Spain
Establishing the accuracy of broadly used density functionals in describing bulk properties of transition metals
P Janthon, SM Kozlov, F Vines, J Limtrakul, F Illas
Journal of Chemical Theory and Computation 9 (3), 1631-1640, 2013
تعهدات: Government of Spain
Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces
JR dos Santos Politi, F Vines, JA Rodriguez, F Illas
Physical Chemistry Chemical Physics 15 (30), 12617-12625, 2013
تعهدات: Government of Spain
Nature of Ag Islands and Nanoparticles on the CeO2(111) Surface
P Luches, F Pagliuca, S Valeri, F Illas, G Preda, G Pacchioni
The Journal of Physical Chemistry C 116 (1), 1122-1132, 2012
تعهدات: Government of Spain
Reactivity of transition metals (Pd, Pt, Cu, Ag, Au) toward molecular hydrogen dissociation: extended surfaces versus particles supported on TiC (001) or small is not always …
T Gomez, E Florez, JA Rodriguez, F Illas
The Journal of Physical Chemistry C 115 (23), 11666-11672, 2011
تعهدات: Government of Spain
Theoretical approaches to excited-state-related phenomena in oxide surfaces
C Sousa, S Tosoni, F Illas
Chemical reviews 113 (6), 4456-4495, 2013
تعهدات: Government of Spain
Electronic Structure of F-Doped Bulk Rutile, Anatase, and Brookite Polymorphs of TiO2
S Tosoni, O Lamiel-Garcia, D Fernandez Hevia, JM Doña, F Illas
The Journal of Physical Chemistry C 116 (23), 12738-12746, 2012
تعهدات: Government of Spain
Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2
S Posada-Perez, F Vines, JA Rodriguez, F Illas
Topics in Catalysis 58, 159-173, 2015
تعهدات: US Department of Energy, Government of Spain
Brønsted–Evans–Polanyi relationship for transition metal carbide and transition metal oxide surfaces
F Vines, A Vojvodic, F Abild-Pedersen, F Illas
The Journal of Physical Chemistry C 117 (8), 4168-4171, 2013
تعهدات: Government of Spain
Multiscale Study of the Mechanism of Catalytic CO2 Hydrogenation: Role of the Ni(111) Facets
P Lozano-Reis, H Prats, P Gamallo, F Illas, R Sayos
ACS Catalysis 10 (15), 8077-8089, 2020
تعهدات: Government of Spain
Interaction of First Row Transition Metals with M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) MXenes: A Quest for Single-Atom Catalysts
H Oschinski, A Morales-Garcia, F Illas
The Journal of Physical Chemistry C 125 (4), 2477-2484, 2021
تعهدات: European Commission, Government of Spain
First-principles calculations on the adsorption behavior of amino acids on a titanium carbide MXene
JD Gouveia, G Novell-Leruth, PMLS Reis, F Viñes, F Illas, JRB Gomes
ACS Applied Bio Materials 3 (9), 5913-5921, 2020
تعهدات: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
Elucidating the structure of ethanol-producing active sites at oxide-derived Cu electrocatalysts
O Piqué, F Vines, F Illas, F Calle-Vallejo
ACS Catalysis 10 (18), 10488-10494, 2020
تعهدات: Netherlands Organisation for Scientific Research, European Commission …
Generalized Brønsted–Evans–Polanyi relationships and descriptors for O–H bond cleavage of organic molecules on transition metal surfaces
JLC Fajín, MNDS Cordeiro, F Illas, JRB Gomes
Journal of catalysis 313, 24-33, 2014
تعهدات: Fundação para a Ciência e a Tecnologia, Portugal, Government of Spain
Adsorption of H2S on carbonaceous materials of different dimensionality
E Ashori, F Nazari, F Illas
International Journal of Hydrogen Energy 39 (12), 6610-6619, 2014
تعهدات: Government of Spain
The Ti2CO2 MXene as a nucleobase 2D sensor: A first-principles study
JD Gouveia, G Novell-Leruth, F Viñes, F Illas, JRB Gomes
Applied Surface Science 544, 148946, 2021
تعهدات: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
Concepts, models, and methods in computational heterogeneous catalysis illustrated through CO2 conversion
Á Morales‐García, F Viñes, JRB Gomes, F Illas
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (4), e1530, 2021
تعهدات: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
Bandgap engineering through nanoporosity
I Demiroglu, S Tosoni, F Illas, ST Bromley
Nanoscale 6 (2), 1181-1187, 2014
تعهدات: European Commission, Government of Spain
Relative Stability of F-Covered TiO2 Anatase (101) and (001) Surfaces from Periodic DFT Calculations and ab Initio Atomistic Thermodynamics
O Lamiel-Garcia, S Tosoni, F Illas
The Journal of Physical Chemistry C 118 (25), 13667-13673, 2014
تعهدات: Government of Spain
New series of triply bridged dinuclear Cu (II) compounds: synthesis, crystal structure, magnetic properties, and theoretical study
N Wannarit, K Siriwong, N Chaichit, S Youngme, R Costa, IPR Moreira, ...
Inorganic Chemistry 50 (21), 10648-10659, 2011
تعهدات: Government of Spain
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