RT journal article
T1 3.4% Solar-to-Ammonia Efficiency from Nitrate Using Fe Single Atomic Catalyst Supported on MoS2 Nanosheets
A1 Li, J.
A1 Zhang, Yuan
A1 Liu, Chao
A1 Zheng, Li Rong
A1 Petit, Eddy
A1 Qi, Kun
A1 Zhang, Yang
A1 Wu, Huali
A1 Wang, Wensen
A1 Tiberj, Antoine
A1 Wang, X.
A1 Chhowalla, Manish
A1 Lajaunie, Luc Cyrille Jacques
A1 Yu, Ruohan
A1 Voiry, Damien
A2 Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
AB Electrochemical synthesis of NH3 is a carbon-free alternative to the traditional Haber-Bosch process. Obtaining NH3 from environmental pollutants, such as nitrates or nitrites, is a more practical route than from the nitrogen reduction reaction (NRR) due to the difficult cleavage of the inert triple bond of nitrogen gas. Here, a novel heterogeneous catalyst is reported based on iron (Fe) single-atoms supported on 2D MoS2 (Fe-MoS2) for the nitrate reduction reaction (NO3RR). Fe-MoS2 exhibits remarkable performance with a maximum Faradaic efficiency of 98% for NO3RR to NH3 at an onset potential of -0.48 V versus the reversible hydrogen electrode (RHE) as confirmed by the isotopic nuclear magnetic resonance (NMR) analyses. Density functional theory (DFT) calculations reveal that the enhanced selectivity for the production of NH3 from single Fe atoms supported on MoS2 is attributed to a reduced energy barrier of 0.38 eV associated with de-oxidation of *NO to *N. The catalysts are coupled to an InGaP/GaAs/Ge triple-junction solar cell to demonstrate a solar-to-ammonia (STA) conversion efficiency of 3.4% and a yield rate of 510 mu g h(-1) cm(-2). The results open new avenues for the design of single-atom catalysts (SAC) for the realization of solar-driven ammonia production.
PB WILEY
SN 1616-3028
YR 2022
FD 2022-05
LK http://hdl.handle.net/10498/29241
UL http://hdl.handle.net/10498/29241
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 05-nov-2026