Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

DOI

  • Yunbin Hu, Max Planck Institute for Polymer Research, Central South University China
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  • Peng Xie, Technische Universitat Munchen
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  • Marzio De Corato, Università di Modena e Reggio Emilia, Consiglio Nazionale delle Ricerche
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  • Alice Ruini, Università di Modena e Reggio Emilia, Consiglio Nazionale delle Ricerche
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  • Shen Zhao, Université Paris-Sud 11
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  • Felix Meggendorfer, Technische Universitat Munchen
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  • Lasse Arnt Straasø
  • Loic Rondin, Université Paris-Sud 11
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  • Patrick Simon, Technische Universitat Munchen
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  • Juan Li, Physik Department E12, Technische Universität München, Advanced Research Institute for Multidisciplinary Science, Beijing Institute of Technology
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  • Jonathan J. Finley, Technische Universitat Munchen
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  • Michael Ryan Hansen, Westfälische Wilhelms-Universität Münster
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  • Jean Sébastien Lauret, Université Paris-Sud 11
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  • Elisa Molinari, Università di Modena e Reggio Emilia, Consiglio Nazionale delle Ricerche
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  • Xinliang Feng, Technische Universitat Dresden
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  • Johannes V. Barth, Technische Universitat Munchen
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  • Carlos Andres Palma, Technische Universitat Munchen
  • ,
  • Deborah Prezzi, Consiglio Nazionale delle Ricerche
  • ,
  • Klaus Müllen, Max Planck Institute for Polymer Research
  • ,
  • Akimitsu Narita, Max Planck Institute for Polymer Research

Among organic electronic materials, graphene nanoribbons (GNRs) offer extraordinary versatility as next-generation semiconducting materials for nanoelectronics and optoelectronics due to their tunable properties, including charge-carrier mobility, optical absorption, and electronic bandgap, which are uniquely defined by their chemical structures. Although planar GNRs have been predominantly considered until now, nonplanarity can be an additional parameter to modulate their properties without changing the aromatic core. Herein, we report theoretical and experimental studies on two GNR structures with "cove"-type edges, having an identical aromatic core but with alkyl side chains at different peripheral positions. The theoretical results indicate that installment of alkyl chains at the innermost positions of the "cove"-type edges can "bend" the peripheral rings of the GNR through steric repulsion between aromatic protons and the introduced alkyl chains. This structural distortion is theoretically predicted to reduce the bandgap by up to 0.27 eV, which is corroborated by experimental comparison of thus synthesized planar and nonplanar GNRs through UV-vis-near-infrared absorption and photoluminescence excitation spectroscopy. Our results extend the possibility of engineering GNR properties, adding subtle structural distortion as a distinct and potentially highly versatile parameter.

Original languageEnglish
JournalJournal of the American Chemical Society
Volume140
Issue25
Pages (from-to)7803-7809
Number of pages7
ISSN0002-7863
DOIs
Publication statusPublished - 27 Jun 2018

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