In:
ChemPhysChem, Wiley, Vol. 23, No. 17 ( 2022-09-05)
Abstract:
We have performed a study on the accommodation of nitrogen doping toward superatomic states of transition metal clusters. By reacting cobalt clusters with N 2 in the presence of plasma radiation, a large number of odd‐nitrogen clusters were observed, typically Co 3 N 2m‐1 + (m=1–5) and Co 4 N 2m‐1 + (m=1–6) series, showing N≡N bond cleavage in the mild plasma atmosphere. Interestingly, the Co 3 N 7 + , Co 4 N 9 + , and Co 5 N 9 + clusters exhibit prominent mass abundances. First‐principles calculation results elucidate the stability of the diverse cobalt nitride clusters and find unique stability of Co 4 N 9 + with a swallow‐kite structure of which four coordinated N 2 molecules causes a significantly enlarged HOMO‐LUMO gap, while the single N atom doping gives rise to superatomic states of 1S 2 1P 3 ||1D 0 . We reveal an efficient dinitrogen activation strategy by reacting multiple N 2 molecules with cobalt clusters under a plasma atmosphere.
Type of Medium:
Online Resource
ISSN:
1439-4235
,
1439-7641
DOI:
10.1002/cphc.202200288
Language:
English
Publisher:
Wiley
Publication Date:
2022
detail.hit.zdb_id:
2025223-7
