000148651 001__ 148651
000148651 005__ 20250923084444.0
000148651 0247_ $$2doi$$a10.1016/j.apsusc.2024.161906
000148651 0248_ $$2sideral$$a141933
000148651 037__ $$aART-2024-141933
000148651 041__ $$aeng
000148651 100__ $$aSingh, Swati
000148651 245__ $$aRobust Ru single-atom alloy catalysts coupled with adjacent Fe-site for highly stable ammonia synthesis under mild conditions
000148651 260__ $$c2024
000148651 5203_ $$aIn 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.
000148651 540__ $$9info:eu-repo/semantics/closedAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000148651 590__ $$a6.9$$b2024
000148651 592__ $$a1.31$$b2024
000148651 591__ $$aMATERIALS SCIENCE, COATINGS & FILMS$$b3 / 23 = 0.13$$c2024$$dQ1$$eT1
000148651 593__ $$aChemistry (miscellaneous)$$c2024$$dQ1
000148651 591__ $$aPHYSICS, CONDENSED MATTER$$b16 / 79 = 0.203$$c2024$$dQ1$$eT1
000148651 593__ $$aCondensed Matter Physics$$c2024$$dQ1
000148651 591__ $$aPHYSICS, APPLIED$$b33 / 187 = 0.176$$c2024$$dQ1$$eT1
000148651 593__ $$aSurfaces, Coatings and Films$$c2024$$dQ1
000148651 591__ $$aCHEMISTRY, PHYSICAL$$b47 / 185 = 0.254$$c2024$$dQ2$$eT1
000148651 593__ $$aSurfaces and Interfaces$$c2024$$dQ1
000148651 593__ $$aPhysics and Astronomy (miscellaneous)$$c2024$$dQ1
000148651 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000148651 700__ $$aKomarala, Eswaravara Prasadarao
000148651 700__ $$aKim, Seok-Jin
000148651 700__ $$aYavuz, Cafer T.
000148651 700__ $$aMaghrabi, Louai Mahdi
000148651 700__ $$aSingh, Nirpendra
000148651 700__ $$aHarfouche, Messaoud
000148651 700__ $$0(orcid)0000-0002-6873-5244$$aSebastian, Victor$$uUniversidad de Zaragoza
000148651 700__ $$aMalina, Ondrej
000148651 700__ $$aBakandritsos, Aristides
000148651 700__ $$aAnjum, Dalaver Hussain
000148651 700__ $$aAlHammadi, Ali Abdulkareem
000148651 700__ $$aPolychronopoulou, Kyriaki
000148651 7102_ $$15005$$2555$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Ingeniería Química
000148651 773__ $$g685 (2024), 161906 [16 pp.]$$pAppl. surf. sci.$$tApplied Surface Science$$x0169-4332
000148651 8564_ $$s9032617$$uhttps://zaguan.unizar.es/record/148651/files/texto_completo.pdf$$yVersión publicada$$zinfo:eu-repo/date/embargoEnd/2026-12-07
000148651 8564_ $$s2439656$$uhttps://zaguan.unizar.es/record/148651/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada$$zinfo:eu-repo/date/embargoEnd/2026-12-07
000148651 909CO $$ooai:zaguan.unizar.es:148651$$particulos$$pdriver
000148651 951__ $$a2025-09-22-14:53:15
000148651 980__ $$aARTICLE