148651 20260217205547.0 doi 10.1016/j.apsusc.2024.161906 sideral 141933 ART-2024-141933 eng Singh, Swati Robust Ru single-atom alloy catalysts coupled with adjacent Fe-site for highly stable ammonia synthesis under mild conditions 2024 In our pursuit of an efficient catalyst for ammonia production, we developed ruthenium (Ru)-based single atom alloy catalysts on a layered double hydroxide-derived support. The extended X-ray absorption fine structure studies provided evidence of single Ru atoms as a Fe-Ru alloy. High-resolution transmission electron microscopy showcased a larger particle size with higher Ru loading, emphasizing the role of Ru site geometry in catalytic activity. The MgFeOx-0.1Ru catalyst, with optimal Ru dispersion and smaller Fe-Ru particle size (1.6 nm), outperformed other catalysts in NH3 synthesis and demonstrated exceptional stability. Remarkably, the catalyst with 0.1 wt% Ru exhibited superior performance, achieving an exceptional NH3 formation rate of 17,897 µmol g−1 h−1 (at 400 °C, 5 MPa, and Weight hourly space velocity (WHSV) of 50,000 mL g−1 h−1) along with maintaining a consistent NH3 synthesis rate of 7,217 µmol g−1 h−1 (at 400 °C, WHSV of 10,000 mL g−1 h−1, and 5 MPa), for a notable duration of 150 h. Our first-principles calculations show that Ru weakened the binding of both molecular and atomic nitrogen on the catalyst’s surface, facilitating the desorption of N-intermediates. The optimized MgFeOx-0.1Ru catalyst composition with characteristics such as small Fe-Ru alloy particle size and the presence of all active Ru sites on the surface improves lifetime, reducing costs and marking a significant stride towards sustainable and economically viable NH3 production. info:eu-repo/semantics/closedAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 6.9 2024 MATERIALS SCIENCE, COATINGS & FILMS 3 / 24 = 0.125 2024 Q1 T1 PHYSICS, CONDENSED MATTER 16 / 80 = 0.2 2024 Q1 T1 PHYSICS, APPLIED 33 / 187 = 0.176 2024 Q1 T1 CHEMISTRY, PHYSICAL 47 / 185 = 0.254 2024 Q2 T1 1.31 2024 Chemistry (miscellaneous) 2024 Q1 Condensed Matter Physics 2024 Q1 Surfaces, Coatings and Films 2024 Q1 Surfaces and Interfaces 2024 Q1 Physics and Astronomy (miscellaneous) 2024 Q1 13.4 2024 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Komarala, Eswaravara Prasadarao Kim, Seok-Jin Yavuz, Cafer T. Maghrabi, Louai Mahdi Singh, Nirpendra Harfouche, Messaoud Sebastian, Victor Universidad de Zaragoza (orcid)0000-0002-6873-5244 Malina, Ondrej Bakandritsos, Aristides Anjum, Dalaver Hussain AlHammadi, Ali Abdulkareem Polychronopoulou, Kyriaki 5005 555 Universidad de Zaragoza Dpto. Ing.Quím.Tecnol.Med.Amb. Área Ingeniería Química 685 (2024), 161906 [16 pp.] Appl. surf. sci. Applied Surface Science 0169-4332 9032617 http://zaguan.unizar.es/record/148651/files/texto_completo.pdf Versión publicada info:eu-repo/date/embargoEnd/2026-12-07 2439656 http://zaguan.unizar.es/record/148651/files/texto_completo.jpg?subformat=icon icon Versión publicada info:eu-repo/date/embargoEnd/2026-12-07 oai:zaguan.unizar.es:148651 articulos driver 2026-02-17-20:38:51 ARTICLE