Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Laura P. Granda-Marulanda"'
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-11 (2022)
Understanding how palladium inhibits CO poisoning is important for rational design of enhanced catalysts. Here the authors show high formate coverage on the palladium-modified electrode inhibits poisoning during formic acid oxidation and the adsorpti
Externí odkaz:
https://doaj.org/article/597581cf4df64224901c2c4a90d4955d
Autor:
Santiago Builes, Francesc Illas, Federico Calle-Vallejo, Alejandra Rendón-Calle, Marc T. M. Koper, Laura P. Granda-Marulanda
Publikováno v:
ACS Catalysis
ACS Catalysis, 10(12), 6900-6907. AMER CHEMICAL SOC
Dipòsit Digital de la UB
Universidad de Barcelona
ACS Catalysis, 10(12), 6900-6907. AMER CHEMICAL SOC
Dipòsit Digital de la UB
Universidad de Barcelona
Computational models of adsorption at metal surfaces are often based on DFT and make use of the generalized gradient approximation. This likely implies the presence of sizable errors in the gas-phase energetics. Here, we take a step closer toward che
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13b19a7bd6613c531352cd8e0a3e815c
https://doi.org/10.1021/acscatal.0c01075
https://doi.org/10.1021/acscatal.0c01075
Publikováno v:
Journal of Physics : Condensed Matter, 33(20). IOP PUBLISHING LTD
Determining the adsorption potential of adsorbed ions in the field of computational electrocatalysis is of great interest to study their interaction with the electrode material and the solvent, and to map out surface phase diagrams and reaction pathw
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e2c359a7b2236958241d9e2e0965adc
https://hdl.handle.net/1887/3210525
https://hdl.handle.net/1887/3210525
Publikováno v:
Chemical Science
Chemical Science, 11(6), 1703-1713. ROYAL SOC CHEMISTRY
Chemical Science, 11(6), 1703-1713. ROYAL SOC CHEMISTRY
Specific adsorption of anions is an important aspect in surface electrochemistry for its influence on reaction kinetics in either a promoted or inhibited fashion. Perchloric acid is typically considered as an ideal electrolyte for investigating elect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e2c8ae6fc7f06e0b409644e48ea5895
https://hdl.handle.net/1887/87506
https://hdl.handle.net/1887/87506
Publikováno v:
ChemPhysChem
Chemphyschem
CHEMPHYSCHEM, 20(22), 2968-2972
Chemphyschem
CHEMPHYSCHEM, 20(22), 2968-2972
Solvation can significantly modify the adsorption energy of species at surfaces, thereby influencing the performance of electrocatalysts and liquid‐phase catalysts. Thus, it is important to understand adsorbate solvation at the nanoscale. Here we e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f83e0ed6d9892a6ed3a0136d8d738b91
Publikováno v:
Physical Chemistry Chemical Physics. 17:9666-9679
A large number of computational studies have been devoted to the investigation of monometallic clusters supported by MgO. However, in practice, catalysis shows that multicomponent catalytic systems often win in catalytic performance over single compo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e1bd2cc0f70d13a5f4923f2cdd266a9
https://doi.org/10.1039/c4cp05723f
https://doi.org/10.1039/c4cp05723f