Splitting of Hydrogen Atoms into Proton-Electron Pairs at BaO-Ru Interfaces for Promoting Ammonia Synthesis under Mild Conditions

  • Baik, Yaejun
  • Kwen, Minjae
  • Lee, Kyungho
  • Chi, Seunghyuck
  • Lee, Susung
  • ... Cho, Kanghee
  • 외 2명
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초록

Ru catalysts promoted with alkali and alkaline earthhave shownsuperior ammonia (NH3) synthesis activities under mildconditions. Although these promoters play a vital role in enhancingcatalytic activity, their function has not been clearly understood.Here, we synthesize a series of Ba-Ru/MgO catalysts with an optimalRu particle size (similar to 2.3 nm) and tailored BaO-Ru interfacialstructures. We discover that the promoting effect is created throughthe separate storage of H+/e(-) pairs atthe BaO-Ru interface. Chemisorbed H atoms on Ru dissociateinto H+/e(-) pairs at the BaO-Ruinterface, where strongly basic, nonreducible BaO selectively capturesH(+) while leaving e(-) on Ru. The resultingelectron accumulation in Ru facilitates N-2 activation viaenhanced pi-backdonation and inhibits hydrogen poisoning duringNH(3) synthesis. Consequently, the formation of intimateBaO-Ru interface without an excessive loss of accessible Rusites enables the synthesis of highly active catalysts for NH3 synthesis.

키워드

TOTAL-ENERGY CALCULATIONSRUTHENIUM CATALYSTSLOW-CRYSTALLINEBARIUMACTIVATIONSUPPORTOXIDENANOPARTICLESSENSITIVITYEFFICIENCY
제목
Splitting of Hydrogen Atoms into Proton-Electron Pairs at BaO-Ru Interfaces for Promoting Ammonia Synthesis under Mild Conditions
저자
Baik, YaejunKwen, MinjaeLee, KyunghoChi, SeunghyuckLee, SusungCho, KangheeKim, HyungjunChoi, Minkee
DOI
10.1021/jacs.3c02529
발행일
2023-05-15
유형
Article
저널명
Journal of the American Chemical Society
145
20
페이지
11364 ~ 11374