@article { Abadir2008a, title = {Biomolecular Sensing Using Carbon Nanotubes: A Simulation Study}, journal = {International Journal of High Speed Electronics and Systems}, volume = {18}, year = {2008}, month = {December 2008}, pages = {879-887}, chapter = {879}, abstract = {A simulation study using molecular dynamics and the density-functional-theory/non-equilibrium-Green?s-function approach has been carried out to investigate the potential of carbon nanotubes (CNT) as molecular-scale biosensors. Single molecules of each of two amino acids (isoleucine and asparagine) were used as the target molecules in two separate simulations. The results show a significant suppression of the local density of states (LDOS) in both cases, with a distinct response for each molecule. This is promising for the prospect of CNT-based single-molecule sensors that might depend on the LDOS, e.g., devices that respond to changes in either conductance or electroluminescence. }, keywords = {Carbon nanotubes; biosensors; molecular dynamics; ab initio simulations. }, author = {George Abadir;Konrad Walus and Robin Turner;David Pulfrey} }