@article{Chen2023, 
author = {Kai Chen and Guohui Wang and Yali Guo and Dongwei Ma and Ke Chu},
title = {Iridium single-atom catalyst for highly efficient NO electroreduction to NH3},
year = {2023},
journal = {Nano Research},
volume = {16},
number = {7},
pages = {8737-8742},
keywords = {single-atom catalysts, theoretical calculations, electrochemical reduction of NO to NH3, amorphous materials},
url = {https://www.sciopen.com/article/10.1007/s12274-023-5556-7},
doi = {10.1007/s12274-023-5556-7},
abstract = {Atomically dispersed Ir confined in amorphous MoO3 (Ir1/a-MoO3) was designed as a high-efficiency catalyst for electrochemical reduction reaction of NO to NH3 (NORR). Atomic precise characterizations reveal that isolated Ir atoms are immobilized in O-vacancies of amorphous MoO3 to form Ir1-O5 moieties. Theoretical computations demonstrate that single-site Ir1-O5 can not only powerfully activate and hydrogenate NO with a near-zero energy barrier, but also exhibit a higher affinity to NO over H adatoms to suppress the competing hydrogen evolution and promote both NORR activity and selectivity. Consequently, Ir1/a-MoO3 shows the maximum NH3 yield rate of 438.8 μmol∙h−1∙cm−2 and NH3-Faradaic efficiency of 93.2%, representing one of the most efficient NORR catalysts to date.}
}