NIST logo

Publication Citation: Sensitivity of gold nano conductors to common contaminations ‹ ab initio results

NIST Authors in Bold

Author(s): Shmuel Barzilai; Francesca M. Tavazza; Lyle E. Levine;
Title: Sensitivity of gold nano conductors to common contaminations ‹ ab initio results
Published: May 29, 2013
Abstract: Gold nanowire chains are considered a good candidate for nanoelectronic devices because they exhibit remarkable structural and electrical properties. A previous study shows that the beryllium terminated BeO (0001) surface may be a useful platform for supporting nano gold conductors, since it preserves the NW configuration, does not restrict its conductivity and even enhances it. However, the influence of contamination on the conductivity of such conductors is unknown. Here, ab initio simulations were performed to determine the effect of commonly adsorbed contaminants (H2O and O2) on the conductivity of gold nano-conductors. We found that the presence of adsorbed impurities does not alter the good conductive ability of the conductors under examination. Moreover, good conductance is also maintained in the presence of substitutional impurities ( i.e. when one of the gold atoms was replaced by an O2 molecule).
Citation: Science and Technology of Advanced Materials
Keywords: Conductance, gold nanowire, nano electronic, ab-initio calculations
Research Areas: Nanotechnology, Nanoelectronics and Nanoscale Electronics