Tuning charge transfer and recombination in exTTF/CNT nanohybrids by choice of chalcogen: A time-domain density functional analysis
Abstract
Supramolecular nanohybrids composed of carbon nanotubes (CNTs) and organic molecules are appealing candidates for many applications. We investigate charge separation and recombination dynamics in extended tetrathiafulvalene (exTTF), a well-known sulfur (S)-rich electron donor, immobilized on a CNT surface, and study the role of the chalcogen atom by comparing with the selenium (Se)-rich tetraselenafulvalene (exTSeF) analog. Using real-time...
Paper Details
Title
Tuning charge transfer and recombination in exTTF/CNT nanohybrids by choice of chalcogen: A time-domain density functional analysis
Published Date
Jan 13, 2021
Journal
Volume
129
Issue
2
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