Optimizing bidentate N-heterocyclic carbene ligands for the modification of late transition metal surfaces – new insights through theory

2019 ◽  
Vol 21 (45) ◽  
pp. 24926-24934
Author(s):  
Melanie C. Börner ◽  
Johannes Neugebauer
Keyword(s):  
Transition Metal ◽  
Noble Metal ◽  
Metal Surfaces ◽  
Late Transition Metal ◽  
Adsorption Behaviour ◽  
Key Factors ◽  
Carbene Ligands ◽  
Transition Metal Surfaces ◽  
Late Transition

We identify key factors determining the adsorption behaviour of bidentate NHCs on noble metal surfaces.

Competitive Hydrogenation between Linear Alkenes and Aromatics on Close-Packed Late Transition Metal Surfaces

2018 ◽  
Vol 123 (13) ◽  
pp. 8370-8378
Author(s):  
Haoran He ◽  
Anish Dasgupta ◽  
Robert M. Rioux ◽  
Randall J. Meyer ◽  
Michael J. Janik
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Late Transition Metal ◽  
Transition Metal Surfaces ◽  
Competitive Hydrogenation ◽  
Late Transition

scholarly journals A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces

2019 ◽  
Vol 4 (2) ◽  
pp. 410-417
Author(s):  
Zhao-Bin Ding ◽  
Matteo Tommasini ◽  
Matteo Maestri
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Transition Metal ◽  
Aromatic Hydrocarbons ◽  
Topological Model ◽  
Late Transition Metal ◽  
Formation Enthalpies ◽  
Transition Metal Surfaces ◽  
Polycyclic Aromatic ◽  
Adsorption Energies ◽  
Late Transition

A topological model for the adsorption of PAHs is derived based on an analogy with the formation enthalpies of metal complexes.

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