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Crystal structures of molybdenum borides dictate electrocatalytic ammonia synthesis efficiency.
- Source :
-
Applied Catalysis B: Environmental . Dec2023, Vol. 338, pN.PAG-N.PAG. 1p. - Publication Year :
- 2023
-
Abstract
- Rather than multivalence molybdenum (Mo), the low valence Mo has rarely been reported as active site for nitrogen reduction. Herein, molybdenum borides with various Mo-B stoichiometry ratios (Mo 2 B, α-MoB, and Mo 2 B 4) in which Mo shows low valence (<1) are synthesized as electrochemical nitrogen reduction reaction (eNRR) catalysts. Mo 2 B 4 demonstrates the highest NH 3 yield of 7.65 µg h− 1/mg at − 0.15 V with Faradaic efficiency (FE) of 12.47 %, while α-MoB exhibits the fastest intrinsic eNRR reaction rate with a higher FE of 17.17 % after considering electrochemically active surface area. DFT calculations reveal that both enzymatic and consecutive mechanisms via side-on configuration can proceed on α-MoB. Additionally, α-MoB exhibits suppressed HER activity due to an optimal surface B occupancy. The eNRR of molybdenum borides were verified qualitatively and quantitatively by 15N 2 isotope experiments. This study demonstrated a synergistic design of eNRR and HER activity to achieve efficient electrocatalytic ammonia production with high eNRR selectivity. [Display omitted] • Phase-pure molybdenum borides with tunable composition are synthesized without high pressure. • eNRR performance depends strongly on the crystallographic structure of molybdenum borides. • A synergistic design of eNRR and HER to achieve efficient electrocatalytic ammonia production with high eNRR selectivity was demonstrated. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09263373
- Volume :
- 338
- Database :
- Academic Search Index
- Journal :
- Applied Catalysis B: Environmental
- Publication Type :
- Academic Journal
- Accession number :
- 164962429
- Full Text :
- https://doi.org/10.1016/j.apcatb.2023.123020