Cyclotrimerization of Acetylene on Clusters Con+/Fen+/Nin+(n = 1–16)
W Gan, L Geng, B Yin, H Zhang, Z Luo… - The Journal of …, 2021 - ACS Publications
Cyclotrimerization of acetylene to benzene has attracted significant interest, but the role of
geometric and electronic effects on catalytic chemistry remains unclear. To fully elucidate the …
geometric and electronic effects on catalytic chemistry remains unclear. To fully elucidate the …
DFT investigation of Au9M2+ nanoclusters (M= Sc-Ni): The magnetic superatomic behavior of Au9Cr2+
Au 10 2+ has been found very stable showing a superatomic behavior with a highly
symmetrical geometry and can be considered as the smallest copy of the golden pyramid Au …
symmetrical geometry and can be considered as the smallest copy of the golden pyramid Au …
Stability and magnetic properties of transition metal (V, Cr, Mn, and Fe) doped cobalt oxide clusters: a density functional theory investigation
Con− 1TMOn− 2+(n= 6–8),(TM= V, Cr, Mn, and Fe) clusters are investigated using density
functional theory calculations. The transition metal atoms preferentially replace one Co atom …
functional theory calculations. The transition metal atoms preferentially replace one Co atom …
Influence of Cr doping on the stability and structure of small cobalt oxide clusters
O m+ clusters (m⩾ n+ 1 for n= 2, 4 and m⩾ n+ 2 for n= 3) prefer to photodissociate via the
loss of an oxygen molecule, whereas oxygen poorer clusters favor the evaporation of …
loss of an oxygen molecule, whereas oxygen poorer clusters favor the evaporation of …
Structure and magnetic properties of Fe12X clusters
GL Gutsev, LE Johnson, KG Belay, CA Weatherford… - Chemical Physics, 2014 - Elsevier
The electronic and geometrical structures of a Fe 12 X family of binary clusters Fe 12 Al, Fe
12 Sc, Fe 12 Ti, Fe 12 V, Fe 12 Cr, Fe 12 Mn, Fe 12 Co, Fe 12 Ni, Fe 12 Cu, Fe 12 Zn, Fe 12 …
12 Sc, Fe 12 Ti, Fe 12 V, Fe 12 Cr, Fe 12 Mn, Fe 12 Co, Fe 12 Ni, Fe 12 Cu, Fe 12 Zn, Fe 12 …
Dopant dependent stability of Co n TM+ (TM = Ti, V, Cr, and Mn) clusters
In this paper, we present a photofragmentation study of mass-selected transition metal-
doped cobalt cluster cations Co n TM+(n= 8–18, TM= Ti, V, Cr, and Mn). Time-of-flight …
doped cobalt cluster cations Co n TM+(n= 8–18, TM= Ti, V, Cr, and Mn). Time-of-flight …
A theoretical investigation on SinMn2+ Clusters (n= 1–10): Geometry, stability, and magnetic properties
The geometry, stability, and magnetic properties of Si n Mn 2+ clusters (n= 1–10) have been
systematically investigated using density functional theory. All studied clusters are favorably …
systematically investigated using density functional theory. All studied clusters are favorably …
Photofragmentation Patterns of Cobalt Oxide Cations ConOm+ (n = 5–9, m = 4–13): From Oxygen-Deficient to Oxygen-Rich Species
Cobalt oxide clusters, Co n O m+(5≤ n≤ 9 and 4≤ m≤ 13), are produced by laser
vaporization and studied by time-of-flight mass spectrometry. Specific stoichiometries are …
vaporization and studied by time-of-flight mass spectrometry. Specific stoichiometries are …
[PDF][PDF] Dopant dependent stability of ConTM+(TM= Ti, V, Cr, and Mn) clusters
E Janssens, P Lievens - researchgate.net
In this paper, we present a photofragmentation study of mass-selected transition metal
doped cobalt cluster cations Co $ _ {n} $ TM $^+ $($ n= 8-18$, TM= Ti, V, Cr, and Mn). Time …
doped cobalt cluster cations Co $ _ {n} $ TM $^+ $($ n= 8-18$, TM= Ti, V, Cr, and Mn). Time …
[HTML][HTML] Geometries, electronic structures and bonding of bimetallic AlCon0/− clusters (n= 1–5): A density functional study
The geometries, electronic structures, stability and bonding of AlCo n 0/−(n= 1–5) clusters
are investigated using density functional theory. The most stable structures of AlCo n (n= 1 …
are investigated using density functional theory. The most stable structures of AlCo n (n= 1 …