المؤلفون: Biz, Chiara, Fianchini, Mauro, Gracia, Jose

المساهمون: C.B. and J.G. thank Prof. Armando Beltran Flors (Quimica ́ Teorica y Computacional) and the Servei D’Informatica of the University Jaume I for the provision of all the computational resources and facilities employed in this work. C.B. acknowledges Prof. Beltran Flors also for the useful initial training. M.F. ́ thanks Prof. Miquel A. Pericas and ICIQ for funding his ̀ postdoctoral position.

مصطلحات موضوعية: spintronics, quantum spin exchange interactions, heterogeneous catalysis, fuel cells, oxygen reduction reaction, density functional theory

Relation: ACS Applied Nano Materials, 2020, vol. 3, no 1; Chiara Biz, Mauro Fianchini, and Jose Gracia. (2020) Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction: A Density Functional Theory Study. ACS Applied Nano Materials, 3 (1), 506-515 doi:10.1021/acsanm.9b02067; http://hdl.handle.net/10234/187386; https://doi.org/10.1021/acsanm.9b02067

الاتاحة: http://hdl.handle.net/10234/187386
https://doi.org/10.1021/acsanm.9b02067

المؤلفون: Biz, Chiara, Fianchini, Mauro, Polo, Victor, Gracia, Jose

مصطلحات موضوعية: heterogeneous catalysis, fuel cells, oxygen reduction reaction, quantum spin-exchange interactions, density functional theory, segregation

وصف الملف: application/pdf

Relation: Catalizadores organometálicos para la transformación sostenible de CO2 y NH3 en productos químicos de alto valor añadido; ACS Applied Materials & Interfaces 2020 12 (45); Chiara Biz, Mauro Fianchini, Victor Polo, and Jose Gracia. Magnetism and Heterogeneous Catalysis: In Depth on the Quantum Spin-Exchange Interactions in Pt3M (M = V, Cr, Mn, Fe, Co, Ni, and Y)(111) Alloys. ACS Applied Materials & Interfaces, 2020 12 (45), 50484-50494 DOI:10.1021/acsami.0c15353; http://hdl.handle.net/10234/192779; https://doi.org/10.1021/acsami.0c15353

الاتاحة: http://hdl.handle.net/10234/192779
https://doi.org/10.1021/acsami.0c15353

المؤلفون: Gracia, Jose, Biz, Chiara, Fianchini, Mauro

مصطلحات موضوعية: Heterogeneous catalysis, Quantum spin exchange interactions, Spin-Dependent catalysis, strongly correlated electrons, Magnetic ordering

وصف الملف: application/pdf

Relation: Materials Today Communications, Volume 23, June 2020, 100894; https://www.sciencedirect.com/science/article/pii/S2352492819311614; GRACIA, Jose; BIZ, Chiara; FIANCHINI, Mauro. The Trend of Chemisorption of Hydrogen and Oxygen Atoms on Pure Transition Metals: Magnetism justifies Unexpected Behaviour of Mn and Cr. Materials Today Communications, 2020, p. 100894.; http://hdl.handle.net/10234/187532; https://doi.org/10.1016/j.mtcomm.2020.100894

الاتاحة: http://hdl.handle.net/10234/187532
https://doi.org/10.1016/j.mtcomm.2020.100894

المؤلفون: Victor Polo, Jose Gracia, Chiara Biz, Mauro Fianchini

المصدر: Repositori Universitat Jaume I
Universitat Jaume I

مصطلحات موضوعية: oxygen reduction reaction, Materials science, Hydrogen, Magnetism, chemistry.chemical_element, fuel cells, Heterogeneous catalysis, segregation, Catalysis, heterogeneous catalysis, chemistry, Ferromagnetism, Chemisorption, Chemical physics, General Materials Science, Density functional theory, quantum spin-exchange interactions, Bimetallic strip, density functional theory

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a2f5da41d82ab6afa70dfed5831d2f5