Autor segons l'article: Pan, Jie; Bru, Gerard; Carbo, Jorge J; Godard, Cyril; Ricart, Josep M
Departament: Química Física i Inorgànica
Autor/s de la URV: Carbó Martin, Jorge Juan / Godard, Cyril / Ricart Pla, Jose Manuel
Paraules clau: Chemistry; Density-functional theory; Gamma-alumina; Insights; Particles; Performance; Platinum clusters; Selectivity; Single; Stability
Resum: Density functional theory (DFT) investigations and microkinetic analyses were conducted to explore the propane dehydrogenation (PDH) process catalyzed by small platinum clusters (Pt2-Pt6). gamma-Al2O3 and graphitic carbon nitride (g-C3N4) were considered as support materials to evaluate their influence on the catalytic performance. Among the studied clusters, Pt5 demonstrated superior PDH activity, selectivity, and stability. Notably, the presence of supports significantly enhanced the selectivity of the reaction, with the Pt5/g-C3N4 system exhibiting the most favorable performance.
Àrees temàtiques: Chemical engineering (all); Chemical engineering (miscellaneous); Chemistry (all); Chemistry (miscellaneous); Chemistry, multidisciplinary; Ciências agrárias i; Engenharias ii; General chemical engineering; General chemistry; Interdisciplinar; Química
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: josep.ricart@urv.cat; j.carbo@urv.cat; cyril.godard@urv.cat
Data d'alta del registre: 2025-10-17
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Enllaç font original: https://pubs.acs.org/doi/10.1021/acsomega.5c07626
Referència a l'article segons font original: Acs Omega. 10 (39): 46105-46114
Referència de l'ítem segons les normes APA: Pan, Jie; Bru, Gerard; Carbo, Jorge J; Godard, Cyril; Ricart, Josep M (2025). Propane Dehydrogenation Catalyzed by Pt Clusters (Pt2-Pt6) in Gas Phase and Supported on g-C3N4 and γ-Al2O3: A Theoretical Study. Acs Omega, 10(39), 46105-46114. DOI: 10.1021/acsomega.5c07626
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
DOI de l'article: 10.1021/acsomega.5c07626
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2025-09-25
Tipus de publicació: Journal Publications
Repositori URV