caa a22 4500 44530331X CHVBK 20180317142604.0 cr unu---uuuuu 170323e20100701xx s 000 0 eng 10.1007/s12274-010-0007-7 doi (NATIONALLICENCE)springer-10.1007/s12274-010-0007-7 Configuration-sensitive molecular sensing on doped graphene sheets [Elektronische Daten] [John Russell, Petr Král] We show by molecular dynamics simulations that configuration-sensitive molecular spectroscopy can be realized on optimally doped graphene sheets vibrated by an oscillatory electric field. High 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 dopants. One can detect binding of different isomers to the nest from the frequency shifts of selected vibrational modes of the combined system. As an illustrative example, we simulate detection of hexanitrostilbene enantiomers in chiral nests formed on graphene. Tsinghua University Press and Springer-Verlag Berlin Heidelberg, 2010 Molecular sensing nationallicence enantiomer nationallicence graphene nationallicence functionalization nationallicence molecular dynamics nationallicence Russell John Department of Chemistry, University of Illinois at Chicago, 60607, Chicago, IL, USA aut Král Petr Department of Chemistry, University of Illinois at Chicago, 60607, Chicago, IL, USA aut Nano Research Tsinghua Press 3/7(2010-07-01), 472-480 1998-0124 3:7<472 2010 3 12274 https://doi.org/10.1007/s12274-010-0007-7 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12274-010-0007-7 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Russell John Department of Chemistry, University of Illinois at Chicago, 60607, Chicago, IL, USA aut NATIONALLICENCE 700 1- Král Petr Department of Chemistry, University of Illinois at Chicago, 60607, Chicago, IL, USA aut NATIONALLICENCE 773 0- Nano Research Tsinghua Press 3/7(2010-07-01), 472-480 1998-0124 3:7<472 2010 3 12274 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer