Publication date: Apr 26, 2020
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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|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.|
|504 Bytes||README file|