TY - JOUR
T1 - Theoretical Investigation of Inelastic Electron Tunneling Spectroscopy of Bimolecular Junctions
AU - Li , Wei
AU - Leng , Jian-Cai
AU - Wang , Chuan-Kui
JO - Journal of Atomic and Molecular Sciences
VL - 3
SP - 262
EP - 269
PY - 2012
DA - 2012/03
SN - 3
DO - http://doi.org/10.4208/jams.091911.101711a
UR - https://global-sci.org/intro/article_detail/jams/8199.html
KW - inelastic electron tunneling spectrum, vibration modes, molecular junction.
AB - <p style="text-align: justify;">First-principles investigation on the inelastic electron tunneling spectra of bi-oligophenyleneethynylenes (OPEs)- monothiol molecular junctions is performed. It is demonstrated that the inelastic electron tunneling spectra are very sensitive to the deviation, stagger or separation of the two molecules in the bimolecular junctions. To some extent, the spectra of bimolecular junctions can present similar characteristics as a single OPE-monothiol molecular junction, which reflects the neglectable interaction between two molecules. When the overlap between the two molecules is relatively strong, out of plane vibration modes are active in the spectra and provide more intermolecular tunneling paths for electrons.</p>