Configuration-Sensitive Molecular Sensing on Doped Graphene Sheets

作     者：John Russell Petr Král 

作者机构：Department of ChemistryUniversity of Illinois at ChicagoChicagoIL 60607USA 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2010年第3卷第7期

页      面：472-480页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：JR would like to acknowledge the generous support from the National Defense Science and Engineering Fellowship sponsored by the Department of Defense 

主　　题：Molecular sensing enantiomer graphene functionalization molecular dynamics 

摘      要：We show by molecular dynamics simulations that configuration-sensitive molecular spectroscopy can be realized on optimally doped graphene sheets vibrated by an oscillatory electric *** selectivity of the spectroscopy is achieved by maximizing Coulombic binding between the detected molecule and a specific nest,formed for this molecule on the graphene sheet by substituting selected carbon atoms with boron and nitrogen *** can detect binding of different isomers to the nest from the frequency shifts of selected vibrational modes of the combined *** an illustrative example,we simulate detection of hexanitrostilbene enantiomers in chiral nests formed on graphene.