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Bright Electroluminescence from Single Graphene Nanoribbon Junctions

Deborah Prezzi1*, Guillaume Schull2*, Michael C. Chong2, Nasima Afshar-Imani2, Fabrice Scheurer2, Claudia Cardoso1, Andrea Ferretti1

1 S3 Center, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, via Campi 213/A, 41125, Modena, Italy

2 Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg, UMR 7504, F-67000 Strasbourg, France

* Corresponding authors emails: deborah.prezzi@nano.cnr.it, schull@ipcms.unistra.fr
DOI10.24435/materialscloud:2020.0040/v1 [version v1]

Publication date: Apr 26, 2020

How to cite this record

Deborah Prezzi, Guillaume Schull, Michael C. Chong, Nasima Afshar-Imani, Fabrice Scheurer, Claudia Cardoso, Andrea Ferretti, Bright Electroluminescence from Single Graphene Nanoribbon Junctions, Materials Cloud Archive 2020.0040/v1 (2020), doi: 10.24435/materialscloud:2020.0040/v1.

Description

This record refers to a study on the electroluminescence of individual GNRs suspended between the tip of a scanning tunneling microscope (STM) and a Au(111) substrate. Emission spectra of such GNR junctions reveal a bright and narrow band emission of red light, whose energy can be tuned with the bias voltage applied to the junction, but always lying below the gap of infinite GNRs. Comparison with ab initio calculations indicates that the emission involves electronic states localized at the GNR termini. The results shed light on unpredicted optical transitions in GNRs. The record includes the computational data that allows to reproduce the published results.

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Files

File name Size Description
nanoletters.zip
MD5md5:32fe5c8cfb17ed682a37485a19536bb2
47.4 KiB The zip file includes: - input files for the DFT calculation referred on the paper and performed with Quantum Espresso. - output files of the BSE calculation performed with the Yambo code. The output files include, at the end, a transcription of the input file used in the calculation.
README.txt
MD5md5:68567a8af6442b981d98153ca12f18e5
504 Bytes README file

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.

External references

Journal reference (Paper in which on the electroluminescence of individual GNRs suspended between the tip of a scanning tunneling microscope (STM) and a Au(111) substrate is reported. Comparison with ab initio calculations shed light on unpredicted optical transitions in GNRs . The calculations of the optical spectra are done within Many Body perturbation Teory, using the Bethe-Salpeter Equation. The electronic properties are computed within Density Functional Theory, and the quasiparticle energies computed within the G0W0 approximation.)

Keywords

density functional theory Graphene nanoribbons electroluminescence single-molecule junction scanning tunneling microscopy induced light emission GW MaX PRACE

Version history:

2020.0040/v1 (version v1) [This version] Apr 26, 2020 DOI10.24435/materialscloud:2020.0040/v1