ChemInform Abstract: Coverage Dependent Adsorption Properties of Atomic Adsorbates on Late Transition Metal Surfaces

ChemInform ◽  
2013 ◽  
Vol 44 (1) ◽  
pp. no-no
Author(s):  
Spencer Miller ◽  
Carmeline Dsilva ◽  
John R. Kitchin
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Adsorption Properties ◽  
Late Transition Metal ◽  
Transition Metal Surfaces ◽  
Late Transition

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

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.

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.

Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces

2020 ◽  
Vol 22 (31) ◽  
pp. 17646-17658
Author(s):  
Raquel C. Bezerra ◽  
Paulo C. D. Mendes ◽  
Raimundo R. Passos ◽  
Juarez L. F. Da Silva
Keyword(s):  
Fuel Cells ◽  
Transition Metal ◽  
Ethylene Glycol ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Adsorption Properties ◽  
Direct Alcohol Fuel Cells ◽  
Alcohol Fuel ◽  
Transition Metal Surfaces

Ethylene glycol (EG) has been considered as a promising alcohol for direct alcohol fuel cells. In this study, we develop an atomistic understanding of its interaction with doped transition-metal surfaces.

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