Portal de Periódicos da CAPES

Optical properties of functionalized graphene

2013; Wiley; Volume: 250; Issue: 12 Linguagem: Inglês

10.1002/pssb.201300181

1521-3951

Gunnar Berghäuser, Ermin Malić,

Fullerene Chemistry and Applications

physica status solidi (b)Volume 250, Issue 12 p. 2678-2680 Original Paper Optical properties of functionalized graphene Gunnar Berghäuser, Corresponding Author Gunnar Berghäuser Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, GermanyCorresponding author: e-mail [email protected], Phone: +49 (0)30 31423029, Fax: +49 (0)30 31429617Search for more papers by this authorErmin Malić, Ermin Malić Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, GermanySearch for more papers by this author Gunnar Berghäuser, Corresponding Author Gunnar Berghäuser Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, GermanyCorresponding author: e-mail [email protected], Phone: +49 (0)30 31423029, Fax: +49 (0)30 31429617Search for more papers by this authorErmin Malić, Ermin Malić Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin, GermanySearch for more papers by this author First published: 15 November 2013 https://doi.org/10.1002/pssb.201300181Citations: 6Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Abstract Hybrid nanostructures are an emerging field in current research. The goal is to tailor material systems with desired electronic or optical properties by functionalization with molecules. Based on the density matrix formalism, we present a theoretical study on the optical properties of graphene functionalized with photoactive spiropyran molecules. Our calculations reveal the impact of the functionalization conditions on the absorption spectrum of graphene-based hybrid nanostructures. In particular, we find that the molecular coverage has a significant effect on the optical transition energy and shape, while the molecular dipole orientation plays a minor role. The external molecular dipole field induces changes in the optical properties of graphene. Inset: The photoactive spiropyran molecules can be optically switched into the merocyanine configuration that is characterized by a pronounced dipole moment [after Guo et al., J. Am. Chem. Soc. 127(43), 15045 (2005)]. References 1 X. Guo, L. Huang, S. O'Brien, P. Kim, and C. Nuckolls, J. Am. Chem. Soc. 127(43), 15045 (2005). 10.1021/ja054335y CASPubMedWeb of Science®Google Scholar 2 M. S. Strano, J. Am. Chem. Soc. 125(51), 16148–16153 (2003). 10.1021/ja036791x CASPubMedWeb of Science®Google Scholar 3 G. Konstantatos, M. Badioli, L. Gaudreau, J. Osmond, M. Bernechea, F. P. Garcia de Arquer, F. Gatti, and F. H. L. Koppens, Nature Nano 7(6), 363–368 (2012). 10.1038/nnano.2012.60 CASPubMedWeb of Science®Google Scholar 4 J. M. Simmons, I. In, V. E. Campbell, T. J. Mark, F. Léonard, P. Gopalan, and M. A. Eriksson, Phys. Rev. Lett. 98(8), 086802 (2007). 10.1103/PhysRevLett.98.086802 CASPubMedWeb of Science®Google Scholar 5 X. Zhou, T. Zifer, B. M. Wong, K. L. Krafcik, F. Leonard, and A. L. Vance, Nano Lett. 9(3), 1028 (2009). 10.1021/nl8032922 CASPubMedWeb of Science®Google Scholar 6 E. Malić, A. Setaro, P. Bluemmel, C. F. Sanz-Navarro, P. Ordejón, S. Reich, and A. Knorr, J. Phys.: Condens. Matter 24, 394006 (2012). 10.1088/0953-8984/24/39/394006 PubMedWeb of Science®Google Scholar 7 A. Setaro, P. Bluemmel, C. Maity, S. Hecht, and S. Reich, Adv. Funct. Mater. 22(11), 2425–2431 (2012). 10.1002/adfm.201102451 CASWeb of Science®Google Scholar 8 P. Bluemmel, A. Setaro, C. Maity, S. Hecht, and S. Reich, J. Phys.: Condens. Matter 24(39), 394005 (2012). 10.1088/0953-8984/24/39/394005 PubMedWeb of Science®Google Scholar 9 E. Malic, A. Setaro, P. Bluemmel, C. F. Sanz-Navarro, P. Ordejón, S. Reich, and A. Knorr, J. Phys.: Condens. Matter 24(39), 394006 (2012). 10.1088/0953-8984/24/39/394006 CASPubMedWeb of Science®Google Scholar 10 E. Malić, C. Weber, M. Richter, V. Atalla, T. Klamroth, P. Saalfrank, S. Reich, and A. Knorr, Phys. Rev. Lett. 106(9), 097401 (2011). 10.1103/PhysRevLett.106.097401 PubMedWeb of Science®Google Scholar 11 M. Kira and S. W. Koch, Semiconductor Quantum Optics(Cambridge University Press, Cambridge, 2011). Google Scholar 12 H. Haug and S. W. Koch, Quantum Theory of the Optical and Electronic Properties of Semiconductors(World Scientific, Singapore, 2004). Google Scholar 13 E. Malic and A. Knorr, Graphene and Carbon Nanotubes: Ultrafast Relaxation Dynamics and Optics(Wiley-VCH, Berlin, 2013). Google Scholar 14 T. Winzer, A. Knorr, and E. Malić, Nano Lett. 10(12), 4839 (2010). 10.1021/nl1024485 CASPubMedWeb of Science®Google Scholar 15 E. Malić, J. Maultzsch, S. Reich, and A. Knorr, Phys. Rev. B 82(3), 035433 (2010). 10.1103/PhysRevB.82.035433 CASWeb of Science®Google Scholar 16 E. Malić, J. Maultzsch, S. Reich, and A. Knorr, Phys. Rev. B 82, 115439 (2010). 10.1103/PhysRevB.82.115439 CASWeb of Science®Google Scholar 17 S. Reich, J. Maultzsch, C. Thomsen, and P. Ordejón, Phys. Rev. B 66, 035412 (2002). 10.1103/PhysRevB.66.035412 CASWeb of Science®Google Scholar 18 E. Malić, T. Winzer, E. Bobkin, and A. Knorr, Phys. Rev. B 84(20), 205406 (2011). 10.1103/PhysRevB.84.205406 CASWeb of Science®Google Scholar 19 G. Berghäuser and E. Malić, submitted for publication (2013). Google Scholar Citing Literature Volume250, Issue12December 2013Pages 2678-2680 ReferencesRelatedInformation