Rearrangement and decomposition pathways of bare and hydrogenated molybdenum oxysulfides in the gas phase

Abstract

Molybdenum sulfides and molybdenum oxysulfides are considered a promising and cheap alternative to platinum as a catalyst for the hydrogen evolution reaction. To better understand possible rearrangements during catalyst activation,...

Decomposition of Halogenated Molybdenum Sulfide Dianions [Mo3S7X6]2–(X = Cl, Br, I)

“…The mechanism for disulfide loss in Figure illustrates the mobility of sulfur atoms between bridging and terminal disulfide units. Similar rearrangements were observed in our earlier studies on Mo 3 S 13 2– and Mo 2 O 2 S 6 2– . , These pathways seem quite robust, which suggests that they also may be involved in the reconstruction of molybdenum sulfide surface species during catalyst activation preceding HER.…”

“…Similar rearrangements were observed in our earlier studies on Mo 3 S 13 2− and Mo 2 O 2 S 6 2− . 38,42 These pathways seem quite robust, which suggests that they also may be involved in the reconstruction of molybdenum sulfide surface species during catalyst activation preceding HER.…”

“…Protonation in the gas phase followed by Coulomb explosion was probed in the reactions of [Mo 2 O 2 S 6 ] 2– and [Mo 2 O 2 S 5 ] 2– with organic acids . Further insight was gained by the comparison with the fragmentation pathways of molybdenum oxide and oxysulfide clusters.…”

Magic cluster sizes of cationic and anionic sodium chloride clusters explained by statistical modeling of the complete phase space

“…The ions are transferred into the ICR cell of the FT-ICR MS, where the cluster size of interest is isolated. Sustained off-resonance irradiation (SORI) 41 collision induced dissociation (CID) experiments are performed [42][43][44] using argon (99.999%) as collision gas at constant pressures between 0.8 Â 10 À8 mbar and 1.0 Â 10 À8 mbar. The parameters for the SORI CID experiment were set to a pulse length of 1.0 s and a frequency offset of 500.0 Hz.…”

Thiomolybdate Clusters: From Homogeneous Catalysis to Heterogenization and Active Sites

“…This flexibility, combined with the ease of electron attachment and removal, appears to be the crucial property that makes molybdenum oxysulfides such good HER catalysts. [ 62 ] Miras and co‐workers reported the electrocatalytic HER activity of the dinuclear compounds [Mo 2 O 2 (S) 2 (S 2 )(S x )] 2− ( x = 2, 4; Figure 1) when deposited on GC electrodes. [ 32 ] Computational analysis of the systems suggested a Volmer–Heyrovsky mechanism where proton‐coupled two‐electron‐reduction leads to a reductive cleavage of a disulfide ligand and the formation of two hydrosulfides.…”