2026-09-08T17:44:00Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/94962025-07-10T22:42:10Zcom_10259_6168com_10259_5086com_10259_2604com_10259_4323com_10259.4_2527col_10259_6169col_10259_4330col_10259.4_2528
Repositorio Institucional de la Universidad de Burgos
author
Marcos Villa, Pedro A.
author
Aguilar Cuesta, Nuria
author
Rozas Azcona, Sara
author
Martel Martín, Sonia
author
Bol Arreba, Alfredo
author
Aparicio Martínez, Santiago
2024-07-26T09:55:24Z
2024-07-26T09:55:24Z
2024-07-11
0021-9606
http://hdl.handle.net/10259/9496
10.1063/5.0215450
1089-7690
Manganese–rhodium (Mn–Rh) nanoparticles have emerged as a promising candidate for catalytic applications in the production of syngas, a critical precursor for a wide range of industrial processes. This study employs a comprehensive, theoretical, and computational approach to investigate the structural and electronic properties of Mn–Rh nanoparticles, with a specific focus on their interaction with titanium oxide (TiO2) surfaces and their potential as catalysts for syngas reactions. The density functional theory calculations are employed to explore the adsorption behavior of Mn–Rh nanoparticles on TiO2 surfaces. By analyzing the adsorption energies, geometries, and electronic structure at the nanoscale interface, we provide valuable insights into the stability and reactivity of Mn–Rh nanoparticles when immobilized on TiO2 supports. Furthermore, the catalytic performance of Mn–Rh nanoparticles in syngas production is thoroughly examined. Through detailed reaction mechanism studies and kinetic analysis, we elucidate the role of Mn and Rh in promoting syngas generation via carbon dioxide reforming and partial oxidation reactions. The findings demonstrate the potential of Mn–Rh nanoparticles as efficient catalysts for these crucial syngas reactions. This research work not only enhances our understanding of the fundamental properties of Mn–Rh nanoparticles but also highlights their application as catalysts for sustainable and industrially significant syngas production.
eng
Manganese–rhodium nanoparticles: Adsorption on titanium oxide surfaces and catalyst for syngas reactions
info:eu-repo/semantics/article
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URL
https://riubu.ubu.es/bitstream/10259/9496/1/Marcos-jcp_2024.pdf
File
MD5
2703760164cfb37f686e3d1f8f19945b
19660155
application/pdf
Marcos-jcp_2024.pdf