The electronic properties of conjugated and saturated dithiol molecules sandwiched between two Au(111) electrodes were studied. The first principles density functional calculations with a slab geometry were used. The behavior of the local density of electronic states (LDOS) for benzene-, dibenzene-, and xylyl-dithiol molecules was analyzed.
|Original language||English (US)|
|Number of pages||7|
|Journal||Journal of Chemical Physics|
|State||Published - Oct 1 2003|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry