Gas phase chemistry of neutral metal clusters: Distribution, reactivity and catalysis

Adsorption and dehydrogenation of ammonia on vanadium and niobium nitride cluster cations

“…Gas-phase metal atoms, clusters, and their compounds are considered to be good models for the reactive sites in heterogeneous catalysts [7][8][9][10][11][12][13][14][15][16][17], and particularly the reactions of transition metal nitride clusters [15][16][17] have attracted increasing interest in recent years because of their specific reactivity. The studies of adsorption and reactions of ammonia on metal nitride clusters are therefore useful to understand the nature of the ammonia synthesis and decomposition on metal nitride catalysts.…”

On the Mechanisms of Hydrogen‐Atom Transfer from Water to the Heteronuclear Oxide Cluster [Ga2Mg2O5].+: Remarkable Electronic Structure Effects

“…[3] Theu ltimate goal in heterogeneous catalysis is,i nt he extreme,t op erform single-atom catalysis (SAC), [4] and gasphase clusters have been considered to serve as ideal models to probe the active site of ac atalyst. [5] Herein, ad etailed investigation on the reactivity of the heteronuclear oxide cluster [Ga 2 Mg 2 O 5 ]C + toward water in the gas phase has been conducted by state-of-the-art mass-spectrometry based experiments in conjunction with quantum chemical (QC) calculations. [6] As shown earlier,the mechanistic understanding derived from these investigations provides fundamental concepts and may guide in the rational design of lowmolecular-weight catalysts.…”

Catalytic oxidation of CO by N2O on neutral Y2MO5 (M = Y, Al) clusters: a density functional theory study

“…Gas-phase cluster study has been emerged as an alternative approach to provide molecular-level insights into the complex chemical reaction processes occurring on the bulk transition metal oxide. [19][20][21][22][23][24][25][26][27][28] The catalytic oxidation of CO by N 2 O at room temperature (RT) in the gas phase was demonstrated for the rst time by Kappes and Staley with FeO + as a catalyst. 12 In the ensuing decades, numerous relevant investigations were developed subsequently.…”