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Hector Prats
Hector Prats
Technische Universität Wien
Подтвержден адрес электронной почты в домене tuwien.ac.at
Название
Процитировано
Процитировано
Год
Is there anything better than Pt for HER?
JN Hansen, H Prats, KK Toudahl, N Mørch Secher, K Chan, J Kibsgaard, ...
ACS energy letters 6 (4), 1175-1180, 2021
4962021
The determination of the HOR/HER reaction mechanism from experimental kinetic data
H Prats, K Chan
Physical Chemistry Chemical Physics 23 (48), 27150-27158, 2021
972021
Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts
A Pajares, H Prats, A Romero, F Vines, PR de la Piscina, R Sayos, ...
Applied Catalysis B: Environmental 267, 118719, 2020
912020
Room temperature methane capture and activation by Ni clusters supported on TiC (001): Effects of metal–carbide interactions on the cleavage of the C–H bond
H Prats, RA Gutierrez, JJ Piñero, F Vines, ST Bromley, PJ Ramirez, ...
Journal of the American Chemical Society 141 (13), 5303-5313, 2019
722019
Kinetic Monte Carlo simulations of the water gas shift reaction on Cu (1 1 1) from density functional theory based calculations
H Prats, L Álvarez, F Illas, R Sayós
Journal of Catalysis 333, 217-226, 2016
682016
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
652020
Assessing the usefulness of transition metal carbides for hydrogenation reactions
H Prats, JJ Piñero, F Viñes, ST Bromley, R Sayós, F Illas
Chemical Communications 55 (85), 12797-12800, 2019
502019
Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
H Prats, D Bahamon, G Alonso, X Giménez, P Gamallo, R Sayós
Journal of CO2 Utilization 19, 100-111, 2017
472017
General concepts, assumptions, drawbacks, and misuses in kinetic m onte c arlo and microkinetic modeling simulations applied to computational heterogeneous catalysis
H Prats, F Illas, R Sayos
International Journal of Quantum Chemistry 118 (9), e25518, 2018
462018
Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts
H Prats, S Posada-Pérez, JA Rodriguez, R Sayos, F Illas
ACS Catalysis 9 (10), 9117-9126, 2019
432019
Comparing the catalytic activity of the water gas shift reaction on Cu (3 2 1) and Cu (1 1 1) surfaces: Step sites do not always enhance the overall reactivity
H Prats, P Gamallo, F Illas, R Sayos
Journal of Catalysis 342, 75-83, 2016
372016
Ultra-high selectivity biogas upgrading through porous MXenes
H Prats, H McAloone, F Viñes, F Illas
Journal of Materials Chemistry A 8 (25), 12296-12300, 2020
312020
Atomistic and electronic structure of metal clusters supported on transition metal carbides: implications for catalysis
H Prats, M Stamatakis
Journal of Materials Chemistry A 10 (3), 1522-1534, 2022
292022
Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu (321) as a case example
H Prats, P Gamallo, R Sayós, F Illas
Physical Chemistry Chemical Physics 18 (4), 2792-2801, 2016
272016
Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes
S Liu, N Govindarajan, H Prats, K Chan
Chem Catalysis 2 (5), 1100-1113, 2022
262022
Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption
H Prats, D Bahamon, X Giménez, P Gamallo, R Sayós
Journal of CO2 Utilization 21, 261-269, 2017
222017
Boosting the activity of transition metal carbides towards methane activation by nanostructuring
M Figueras, RA Gutiérrez, H Prats, F Viñes, PJ Ramírez, F Illas, ...
Physical Chemistry Chemical Physics 22 (13), 7110-7118, 2020
212020
Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2 and H2 Dissociation
P Lozano-Reis, H Prats, R Sayós, JA Rodriguez, F Illas
The Journal of Physical Chemistry C 125 (22), 12019-12027, 2021
202021
Selectivity Trends and Role of Adsorbate–Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts
M Deimel, H Prats, M Seibt, K Reuter, M Andersen
ACS Catalysis 12 (13), 7907-7917, 2022
132022
Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion
G Alonso, E López, F Huarte-Larrañaga, R Sayós, H Prats, P Gamallo
Journal of CO2 Utilization 54, 101777, 2021
132021
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