52 citations · 185 across the 8 of their papers we have counts for
8 papers
Effects of asymmetric contacts on single molecule conductances of HS(CH2)nCOOH in nano-electrical junctions
S. Martin, D. Manrique, V. M. Garcia-Suarez +4
A scanning tunnelling microscope has been used to determine the conductance of single molecular wires with the configuration X-bridge-X, X-bridge-Y and Y-bridge-Y (X = thiol termin…
Impact of Fano and Breit-Wigner resonances in the thermoelectric properties of nanoscale junctions
V. M. García-Suárez, R. Ferradás, J. Ferrer
We show that the thermoelectric properties of nanoscale junctions featuring states near the Fermi level strongly depend on the type of resonance generated by such states, which can…
Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices
D. Carrascal, V. M. García-Suárez, J. Ferrer
We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular elect…
Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes
A. García-Fuente, V. M. García-Suárez, J. Ferrer +1
Monoatomic chains of molybdenum encapsulated in single walled carbon nanotubes of different chiralities are investigated using density functional theory. We determine the optimal s…
Tuning the conductance of molecular junctions: transparent versus tunneling regimes
J. Ferrer, V. M. Garcia-Suarez
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We fi…
Conformation dependence of molecular conductance: chemistry versus geometry
C. M. Finch, S. Sirichantaropass, S. W. Bailey +3
Recent experiments by Venkatamaran {\em et al.} [Nature (London) {\bf 442}, 904 (2006)] on a series of molecular wires with varying chemical compositions, revealed a linear depende…