Vardanega D, Picaud F, Girardet C
Laboratoire de Physique Moléculaire, UMR CNRS 6624, Faculté des Sciences, La Bouloie, Université de Franche-Comté, F25030 Besançon Cedex, France.
J Chem Phys. 2007 Nov 21;127(19):194702. doi: 10.1063/1.2798756.
Calculations of the interaction energy and dielectric responses of chiral single walled carbon nanotubes to the presence of amino acid enantiomers are carried out. A theoretical study is developed to show that the frequency shifts of selected nanotubes conveniently tailored to the size of the probed molecules and used in a resonator configuration can selectively detect different species of amino acids and the left- and right-handed enantiomers of these species. Criteria for an optimization of the adsorption energy and frequency response on the size and chiral angle of the nanotubes are given. It is found that a very small set of carbon tubes obeys these conditions.
对手性单壁碳纳米管与氨基酸对映体存在时的相互作用能和介电响应进行了计算。开展了一项理论研究，结果表明，为适应被探测分子的大小而专门定制并用于谐振器配置的特定纳米管的频率偏移，能够选择性地检测不同种类的氨基酸以及这些氨基酸的左旋和右旋对映体。给出了关于纳米管尺寸和手性角对吸附能及频率响应进行优化的标准。结果发现，只有极少数的碳管符合这些条件。
