scholarly journals DFTB-Assisted Global Structure Optimization of 13- and 55-Atom Late Transition Metal Clusters

2019 ◽  
Vol 123 (13) ◽  
pp. 3038-3045 ◽  
Author(s):  
Maxime Van den Bossche
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Structure Optimization ◽  
Global Structure ◽  
Late Transition Metal ◽  
Transition Metal Clusters ◽  
Late Transition

scholarly journals Size and charge effects on the binding of CO to late transition metal clusters

2006 ◽  
Vol 124 (19) ◽  
pp. 194305 ◽  
Author(s):  
André Fielicke ◽  
Gert von Helden ◽  
Gerard Meijer ◽  
David B. Pedersen ◽  
Benoit Simard ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Late Transition Metal ◽  
Transition Metal Clusters ◽  
Charge Effects ◽  
Late Transition

Electron Counting in Ligated High Nuclearity Late Transition Metal Clusters

2021 ◽  
Author(s):  
Franck Gam ◽  
Jianyu Wei ◽  
Samia Kahlal ◽  
Jean-Yves Saillard ◽  
Jean-François Halet
Keyword(s):  
Transition Metal ◽  
Metal Clusters ◽  
Late Transition Metal ◽  
Transition Metal Clusters ◽  
Electron Counting ◽  
Late Transition

Competitive adsorption of phenol and toluene onto silica-supported transition metal clusters for biofuel purification

2021 ◽  
Author(s):  
Saber Gueddida ◽  
Michael Badawi ◽  
Tejraj Aminabhavi ◽  
Sébastien Lebègue
Keyword(s):  
Transition Metal ◽  
Competitive Adsorption ◽  
Metal Clusters ◽  
Hydrocarbon Fuel ◽  
Energy Performance ◽  
Transition Metal Clusters ◽  
Gas Emissions ◽  
Toxic Gas

Biomass-based renewable hydrocarbon fuel is a complex mix that contains many oxygenating substances, in particular phenolics, which leads to adverse consequences such as reduced engine energy performance and increased toxic gas emissions.

Soluble lanthanide-transition-metal clusters Ln36Co12 as effective molecular electrocatalysts for water oxidation

2021 ◽  
Vol 57 (29) ◽  
pp. 3611-3614
Author(s):  
Rong Chen ◽  
Chao-Long Chen ◽  
Ming-Hao Du ◽  
Xing Wang ◽  
Cheng Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Synergistic Effect ◽  
Water Oxidation ◽  
Metal Clusters ◽  
Bond Formation ◽  
Transition Metal Clusters ◽  
Oxidation Activity ◽  
Acidic Conditions ◽  
Effective Water

The stable 48-metal Ln36Co12 clusters show an effective water oxidation activity under weak acidic conditions because of the synergistic effect between lanthanide and transition metals in O–O bond formation.

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