scholarly journals A Comparative Computational Study of the Adsorption of TCNQ and F4-TCNQ on the Coinage Metal Surfaces

ACS Omega ◽  
2019 ◽  
Vol 4 (16) ◽  
pp. 16906-16915
Author(s):  
Roberto Otero ◽  
Rodolfo Miranda ◽  
José M. Gallego
Keyword(s):  
Metal Surfaces ◽  
Computational Study ◽  
Coinage Metal

scholarly journals N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

2017 ◽  
Vol 8 (12) ◽  
pp. 8301-8308 ◽  
Author(s):  
Li Jiang ◽  
Bodong Zhang ◽  
Guillaume Médard ◽  
Ari Paavo Seitsonen ◽  
Felix Haag ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Metal Surfaces ◽  
Heterocyclic Carbenes ◽  
Solid Surfaces ◽  
Monolayer Films ◽  
Coinage Metal ◽  
Bonding Scheme ◽  
Group 11 Metals

N-Heterocyclic carbenes wet the solid surfaces of group 11 metals with energetically favourable electron donating biscarbene metal complexes.

Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces

2020 ◽  
Author(s):  
Kunran Yang ◽  
Bo Yang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Reaction Mechanisms ◽  
Metal Surfaces ◽  
Density Functional ◽  
Functional Theory ◽  
Coinage Metal

Density functional theory (DFT) has been considered as a powerful tool for the identification of reaction mechanisms. However, it is still unclear whether the error of DFT calculations would lead...

Comparison of the structures and wetting properties of self-assembled monolayers of n-alkanethiols on the coinage metal surfaces, copper, silver, and gold

1991 ◽  
Vol 113 (19) ◽  
pp. 7152-7167 ◽  
Author(s):  
Paul E. Laibinis ◽  
George M. Whitesides ◽  
David L. Allara ◽  
Yu Tai Tao ◽  
Atul N. Parikh ◽  
...  
Keyword(s):  
Metal Surfaces ◽  
Self Assembled Monolayers ◽  
Coinage Metal ◽  
Wetting Properties ◽  
Assembled Monolayers ◽  
Self Assembled

scholarly journals Chemical Transformations Drive Complex Self-Assembly of Uracil on Close-Packed Coinage Metal Surfaces

ACS Nano ◽  
2012 ◽  
Vol 6 (3) ◽  
pp. 2477-2486 ◽  
Author(s):  
Anthoula C. Papageorgiou ◽  
Sybille Fischer ◽  
Joachim Reichert ◽  
Katharina Diller ◽  
Florian Blobner ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Surfaces ◽  
Chemical Transformations ◽  
Coinage Metal

scholarly journals Binding energies of benzene on coinage metal surfaces: Equal stability on different metals

2018 ◽  
Vol 148 (21) ◽  
pp. 214703 ◽  
Author(s):  
Friedrich Maaß ◽  
Yingda Jiang ◽  
Wei Liu ◽  
Alexandre Tkatchenko ◽  
Petra Tegeder
Keyword(s):  
Metal Surfaces ◽  
Binding Energies ◽  
Coinage Metal
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