scholarly journals van der Waals corrected DFT simulation of adsorption processes on transition-metal surfaces: Xe and graphene on Ni(111)

2015 ◽  
Vol 91 (19) ◽  
Author(s):  
Pier Luigi Silvestrelli ◽  
Alberto Ambrosetti
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Van Der Waals ◽  
Dft Simulation ◽  
Transition Metal Surfaces ◽  
Adsorption Processes

Comparison of the Performance of van der Waals Dispersion Functionals in the Description of Water and Ethanol on Transition Metal Surfaces

2018 ◽  
Vol 122 (3) ◽  
pp. 1577-1588 ◽  
Author(s):  
Rafael L. H. Freire ◽  
Diego Guedes-Sobrinho ◽  
Adam Kiejna ◽  
Juarez L. F. Da Silva
Keyword(s):  
Transition Metal ◽  
Metal Surfaces ◽  
Van Der Waals ◽  
Transition Metal Surfaces
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