101 citations · 148 across the 2 of their papers we have counts for
2 papers
cond-mat.mes-hall2012★ 47 cited
Ab-initio study of the thermopower of biphenyl-based single-molecule junctions
M. Bürkle, L. A. Zotti, J. K. Viljas +6
Employing ab-initio electronic structure calculations combined with the non-equilibrium Green's function technique, we study the dependence of the thermopower Q on the conformation…
cond-mat.mes-hall2011★ 101 cited
Conduction mechanisms in biphenyl-dithiol single-molecule junctions
M. Bürkle, J. K. Viljas, A. Mishchenko +5
Based on density-functional theory calculations, we report a detailed study of the single-molecule charge-transport properties for a series of recently synthesized biphenyl-dithiol…