@Article{JAMS-1-318,
author = {Yan-Hong Zhou and  You-Lin Peng},
title = {Conductance of Carbon Atomic Wire in the Environment of $H_2O$ Molecules},
journal = {Journal of Atomic and Molecular Sciences},
year = {2010},
volume = {1},
number = {4},
pages = {318--324},
abstract = {<p style="text-align: justify;">The conductance of carbon atomic wire in the environment of $H_2O$ molecules is studied by the non-equilibrium Green function
method &nbsp;based on density functional theory. In particular, &nbsp;the
carbon wire with seven atoms sandwiched between the Al(100)
electrodes is considered. It is found that the transport properties
are sensitive to the variation of the number and the position of the $H_2O$ molecule adsorbed on the carbon wire. To our surprise, with
different positions of a single $H_2O$ molecule on the carbon wire,
the equilibrium conductance shows an evident odd-even oscillatory
behavior. For example, the equilibrium conductance &nbsp;of the &nbsp;carbon
wire becomes bigger when the $H_2O$ is adsorbed on the odd-numbered
carbon atoms; an opposite conclusion is obtained for the $H_2O$ adsorbed on the even-numbered carbon atoms. For the cases of two $H_2O$ molecules, the equilibrium conductance varies largely and the
contribution of the third eigenchannel becomes larger in some
special configurations. The above behavior is analyzed via the
charge transfer and the density of states (DOS). Reasonable
explanations are presented.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.052010.062610a},
url = {http://global-sci.org/intro/article_detail/jams/8093.html}
}