BN-decorated graphene nanoflakes with tunable opto-electronic and charge transport properties
Author:
Affiliation:
1. Theoretical Sciences Unit
2. Jawaharlal Nehru Centre for Advanced Scientific Research
3. Bangalore, India
4. New Chemistry Unit
Abstract
The electronic structures, optical and charge transport properties of various boron–nitrogen (BN) substituted hexagonal graphene nanoflakes (h-GNFs) are investigated with the aim of tailoring the intrinsic properties of pristine h-GNFs using first-principles density functional theory.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2014/TC/C3TC32486A
Reference61 articles.
1. Functionalized Acenes and Heteroacenes for Organic Electronics
2. Effects of electronegative substitution on the optical and electronic properties of acenes and diazaacenes
3. Electronic spectra of hexacene in solution (ground state. Triplet state. Dication and dianion)
4. The nature of singlet excitons in oligoacene molecular crystals
5. Electronic Absorption Spectra of Neutral Pentacene (C22H14) and Its Positive and Negative Ions in Ne, Ar, and Kr Matrices
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