Graphical Abstract
![](https://wqketang.oss-cn-beijing.aliyuncs.com/unzip/large-zip/zip-2a02756c-9a3e-46eb-b900-8aa2a7a59dfe/5556/files/5556-TOC.jpg?Expires=1725757565&OSSAccessKeyId=STS.NSssK71aLjDMY9SbRgGRGskMT&Signature=%2BpgDjl18uiHxv4ZFBABKRFrcnDA%3D&security-token=CAISywJ1q6Ft5B2yfSjIr5DGOPGD3L5t3YamWx%2FihlIyS91rnK7mtjz2IHtKenhsBOsbtfk1mG5W5%2FgZlqJ9SptIAEfJa9d99Myjb%2F9FltCT1fau5Jko1beHewHKeTOZsebWZ%2BLmNqC%2FHt6md1HDkAJq3LL%2Bbk%2FMdle5MJqP%2B%2FUFB5ZtKWveVzddA8pMLQZPsdITMWCrVcygKRn3mGHdfiEK00he8TouufTinpHMskGA1Aell7Mvyt6vcsT%2BXa5FJ4xiVtq55utye5fa3TRYgxowr%2Fwo0v0YpGya5YzHXwcPskvdKZbo78UqLQlla6w%2BGqFJqvPxr%2Fp8t%2Fx5fWJKAezhVgs8cVM8JOjIqKOscIsixo262SmqFV55c8Fdm%2BgUooJVgIMhTnduUfAPJAGOxzJitP%2BUVGGphr60TEnBL4rB5MUctfzRpwT64j3UTzDnGoABhFRSspTLrn9GrEN9pQYzC6eepGdfWDQh3fr5hA1VnwVUJMCz%2BNQEDWKceF%2FnEjWVMtfbvqYxuyhSCmIMMyh5bEREEKEiD%2BFVv4ZfsqnV7hQy5w6HhIkN8kZzP6L0zPvPgkBLOtdMDeDxhf8dVPrCSG4etXHjxcwUaRVb3ZR7Yu8gAA%3D%3D)
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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.
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