Robust Ru single-atom alloy catalysts coupled with adjacent Fe-site for highly stable ammonia synthesis under mild conditions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F25%3A73627756" target="_blank" >RIV/61989592:15640/25:73627756 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27640/25:10256563

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0169433224026229?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0169433224026229?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apsusc.2024.161906" target="_blank" >10.1016/j.apsusc.2024.161906</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Robust Ru single-atom alloy catalysts coupled with adjacent Fe-site for highly stable ammonia synthesis under mild conditions

Popis výsledku v původním jazyce

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 mu mol g- 1 h- 1 (at 400 degrees 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 mu mol g- 1 h- 1 (at 400 degrees 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&apos;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.

Název v anglickém jazyce

Robust Ru single-atom alloy catalysts coupled with adjacent Fe-site for highly stable ammonia synthesis under mild conditions

Popis výsledku anglicky

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 mu mol g- 1 h- 1 (at 400 degrees 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 mu mol g- 1 h- 1 (at 400 degrees 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&apos;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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

21002 - Nano-processes (applications on nano-scale); (biomaterials to be 2.9)

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

APPLIED SURFACE SCIENCE

ISSN

0169-4332

e-ISSN

1873-5584

Svazek periodika

685

Číslo periodika v rámci svazku

March

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

16

Strana od-do

nestránkováno

Kód UT WoS článku

001389679200001

EID výsledku v databázi Scopus

2-s2.0-85211992206