25 citations · 121 across the 10 of their papers we have counts for
10 papers
Systematic study of low energy geometries of copper nano-junctions exposed to water and to species that can result from dissociation of water
Firuz Demir, Kevin Dean, George Kirczenow
A detailed computational analysis has been performed, considering copper atomic contacts that are exposed directly to water molecules, hydroxyl groups, and monatomic as well as mol…
Copper atomic contacts exposed to water molecules
Firuz Demir, Kevin Dean
Monatomic and molecular hydrogen and also oxygen, as well as water molecules and OH that are exposed to atomic copper in intimate contact have been studied theoretically using comp…
Thermoelectric voltage switching in gold atomic wire junctions
Alireza Saffarzadeh, Firuz Demir, George Kirczenow
We explore the thermoelectric properties of gold atomic chains bridging gold electrodes by means of \textit{ab initio} and semi-empirical calculations, and heuristic reasoning. We…
Controlling the thermoelectric effect by mechanical manipulation of the electron's quantum phase in atomic junctions
Akira Aiba, Firuz Demir, Satoshi Kaneko +6
The thermoelectric voltage developed across an atomic metal junction (i.e., a nanostructure in which one or a few atoms connect two metal electrodes) in response to a temperature d…
Mechanism of the enhanced conductance of a molecular junction under tensile stress
Alireza Saffarzadeh, Firuz Demir, George Kirczenow
Despite its fundamental importance for nano physics and chemistry and potential device applications, the relationship between atomic structure and electronic transport in molecular…
Inelastic Tunneling Spectroscopy of Gold-Thiol and Gold-Thiolate Interfaces in Molecular Junctions: The Role of Hydrogen
Firuz Demir, George Kirczenow
It is widely believed that when a molecule with thiol (S-H) end groups bridges a pair of gold electrodes, the S atoms bond to the gold and the thiol H atoms detach from the molecul…