Vibrational study of a molecular device using molecular dynamics simulations. Academic Article

abstract

• A Potential scenario for the implementation of molecular electronic systems is introduced by applying digital signal processing techniques to results from classical molecular dynamics simulations of a molecular system interconnected by nanosize gold clusters. Under this new scenario, signals can be introduced, processed, and read through interactions with the internal vibrational modes of the small molecular unit. We use modulation operations intrinsically inherent to any molecular system as a concept proof. As an example of this type of analysis, we focus on the individual oscillations between C-H and C-C bonds and cluster-cluster displacements.

authors

• Seminario, Jorge

published proceedings

• J Nanosci Nanotechnol

author list (cited authors)

• Seminario, J. M., Derosa, P. A., Bozard, B. H., & Chagarlamudi, K.

citation count

• 9

complete list of authors

• Seminario, Jorge M||Derosa, Pedro A||Bozard, Brian H||Chagarlamudi, Krishna

publication date

• March 2005

publisher

• American Scientific Publishers  Publisher

published in

• Journal of Nanoscience and Nanotechnology  Journal

keywords

• Carbon
• Computer Simulation
• Electronics
• Gold
• Hydrogen
• Models, Chemical
• Models, Molecular
• Nanostructures
• Signal Processing, Computer-Assisted
• Stress, Mechanical
• Vibration

PubMed Central ID

• 15913260

Digital Object Identifier (DOI)

• 10.1166/jnn.2005.044

start page

• 484

end page

• 495

volume

• 5

issue

• 3

URL

• http://dx.doi.org/10.1166/jnn.2005.044