Structures and Chemical Bonding in NbS n 2−/−/0 (n = 3–5) Clusters: Effects of Sulfur Content and Charge States

CeO2-supported multi-nuclear NbxSy clusters for hydrogen evolution reaction

“…11–13 In the field of catalysis, NbS 2 has been proven to be efficient in cracking and isomerization reactions and the hydrogenation of 1-butene. 14,15 NbS 3 shows higher catalytic activity in the conversion of nitrogen-containing molecules ( n -pentylamine and pyridine) and hydrogenation of biphenyl than MoS 2 . 16 Molybdenum sulfides (Mo x S y ) have been intensively studied as hydrogen evolution reaction (HER) catalysts, whereas, less attention has been paid to Nb x S y in this aspect.…”

“…A series of mono/bi-nuclear Nb x S y clusters in the gas phase have been explored for their structural evolution, chemical bonding, and electronic structures, including NbS n ( n = 1–2), 21 NbS n 2−/−/0 ( n = 3–5), 15 NbS 6 −/0 , 22 Nb 2 S n 4+ ( n = 2–4) 23,24 and Nb 2 S n −/0 ( n = 4–7). 25 The reactivities of the gas-phase NbS + cation with some small molecules, such as CO and CO 2 have been investigated, 26–28 and several bi-nuclear complexes containing Nb 2 S 4 4+ cores have been reported as precatalysts in the reaction of HER.…”