The finite-size effect on the transport properties in edge-modified graphene nanoribbon-based molecular devices

2011 ◽  
Vol 32 (8) ◽  
pp. 1753-1759 ◽  
Author(s):  
Zongling Ding ◽  
Jun Jiang ◽  
Huaizhong Xing ◽  
Haibo Shu ◽  
Yan Huang ◽  
...  
2013 ◽  
Vol 24 (06) ◽  
pp. 1350031
Author(s):  
E. B. ARAÚJO ◽  
A. A. MOREIRA ◽  
H. J. HERRMANN ◽  
L. R. DA SILVA ◽  
J. S. ANDRADE

We investigate transport properties of percolating clusters generated by irreversible cooperative sequential adsorption (CSA) on square lattices with Arrhenius rates given by ki ≡ qni, where ni is the number of occupied neighbors of the site i, and q a controlling parameter. Our results show a dependence of the prefactors non q and a strong finite size effect for small values of this parameter, both impacting the size of the backbone and the global conductance of the system. These results might be pertinent to practical applications in processes involving adsorption of particles.


2021 ◽  
Author(s):  
Amir H. Hakimioun ◽  
Elisabeth M. Dietze ◽  
Bart D. Vandegehuchte ◽  
Daniel Curulla-Ferre ◽  
Lennart Joos ◽  
...  

AbstractThis study evaluates the finite size effect on the oxygen adsorption energy of coinage metal (Cu, Ag and Au) cuboctahedral nanoparticles in the size range of 13 to 1415 atoms (0.7–3.5 nm in diameter). Trends in particle size effects are well described with single point calculations, in which the metal atoms are frozen in their bulk position and the oxygen atom is added in a location determined from periodic surface calculations. This is shown explicitly for Cu nanoparticles, for which full geometry optimization only leads to a constant offset between relaxed and unrelaxed adsorption energies that is independent of particle size. With increasing cluster size, the adsorption energy converges systematically to the limit of the (211) extended surface. The 55-atomic cluster is an outlier for all of the coinage metals and all three materials show similar behavior with respect to particle size. Graphic Abstract


2019 ◽  
Vol 125 (22) ◽  
pp. 223906 ◽  
Author(s):  
N. Kokubo ◽  
S. Okayasu ◽  
T. Nojima

2011 ◽  
Vol 47 (6) ◽  
pp. 1610-1613 ◽  
Author(s):  
Andreas Vogel ◽  
André Drews ◽  
Mi-Young Im ◽  
Peter Fischer ◽  
Guido Meier

1999 ◽  
Vol 86 (11) ◽  
pp. 6571-6575 ◽  
Author(s):  
J. Ederth ◽  
A. Hoel ◽  
C. I. Johansson ◽  
L. B. Kiss ◽  
E. Olsson ◽  
...  

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