Adsorbate−Adsorbate Interactions and Chemisorption at Different Coverages Studied by Accurate ab initio Calculations:  CO on Transition Metal Surfaces†

2006 ◽  
Vol 110 (8) ◽  
pp. 3816-3822 ◽  
Author(s):  
Sara E. Mason ◽  
Ilya Grinberg ◽  
Andrew M. Rappe
Keyword(s):  
Transition Metal ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Transition Metal Surfaces

Formation of carbyne and graphyne on transition metal surfaces

Nanoscale ◽  
2014 ◽  
Vol 6 (21) ◽  
pp. 12727-12731 ◽  
Author(s):  
Qinghong Yuan ◽  
Feng Ding
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Active Catalyst ◽  
Transition Metal Surfaces ◽  
Catalyst Surfaces

Formation of carbyne and graphyne on less active catalyst surfaces, such as Cu, Ni, Au, and Ag, is predicted by ab initio calculations.

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.

scholarly journals Ab initio studies of a water layer at transition metal surfaces

2005 ◽  
Vol 122 (5) ◽  
pp. 054701 ◽  
Author(s):  
Peter Vassilev ◽  
Rutger A. van Santen ◽  
Marc T. M. Koper
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Surfaces ◽  
Water Layer ◽  
Transition Metal Surfaces

A Thermodynamics Study of Hydrogen Interaction with (110) Transition Metal Surfaces

2021 ◽  
pp. 148961
Author(s):  
Feina Zhai ◽  
Yun Tian ◽  
Dandan Song ◽  
Yuanjie Li ◽  
Xiaojing Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Hydrogen Interaction ◽  
Transition Metal Surfaces
Sign in / Sign up

Export Citation Format

Share Document