First-Principles Study of Benzene and Its Homologues upon Graphene-Metal Surfaces: Comparison of London Dispersion Corrections

2021 ◽  
pp. 121919
Author(s):  
Wenjie Yang ◽  
Zihan Yan ◽  
Kangjin Zhang ◽  
Wenyan Wang ◽  
Shuqi Lei ◽  
...  
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
First Principles Study ◽  
London Dispersion

scholarly journals Molecule-Adsorbed Topological Insulator and Metal Surfaces: A Comparative First-Principles Study

2018 ◽  
Vol 30 (6) ◽  
pp. 1849-1855 ◽  
Author(s):  
Soumyajit Sarkar ◽  
Jing Yang ◽  
Liang Z. Tan ◽  
Andrew M. Rappe ◽  
Leeor Kronik
Keyword(s):  
Topological Insulator ◽  
First Principles ◽  
Metal Surfaces ◽  
First Principles Study

Water adsorption at metal surfaces: A first-principles study of thep(3×3)R30°H2Obilayer on Ru(0001)

2005 ◽  
Vol 71 (15) ◽  
Author(s):  
Giuliana Materzanini ◽  
Gian Franco Tantardini ◽  
Philip J. D. Lindan ◽  
Peter Saalfrank
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
Water Adsorption ◽  
First Principles Study

Magnetic doping of4dtransition-metal surfaces: A first-principles study

2005 ◽  
Vol 71 (9) ◽  
Author(s):  
S. Dennler ◽  
J. Hafner ◽  
M. Marsman ◽  
J. Morillo
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
First Principles Study ◽  
Magnetic Doping

First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts

2009 ◽  
Vol 603 (18) ◽  
pp. 2912-2922 ◽  
Author(s):  
Kenji Toyoda ◽  
Yosuke Nakano ◽  
Ikutaro Hamada ◽  
Kyuho Lee ◽  
Susumu Yanagisawa ◽  
...  
Keyword(s):  
Noble Metal ◽  
First Principles ◽  
Metal Surfaces ◽  
Vacuum Level ◽  
First Principles Study ◽  
Level Shifts

First principles study of ZnO adsorption on stressed metal surfaces

2011 ◽  
Vol 605 (3-4) ◽  
pp. 450-455 ◽  
Author(s):  
C.L. Phillips ◽  
P.D. Bristowe
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
First Principles Study
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