Electron Localization and Mobility in Monolayer Fullerene Networks.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 38767281.
- Also identified by DOI 10.1021/acs.nanolett.4c01695.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
Abstract
The novel 2D quasi-hexagonal phase of covalently bonded fullerene molecules (qHP C<sub>60</sub>), the so-called graphullerene, has displayed far superior electron mobilities, if compared to the parent van der Waals three-dimensional crystal (vdW C<sub>60</sub>). Herein, we present a comparative study of the electronic properties of vdW and qHP C<sub>60</sub> using state-of-the-art electronic-structure calculations and a full quantum-mechanical treatment of electron transfer. We show that both materials entail polaronic localization of electrons with similar binding energies (≈0.1 eV) and, therefore, they share the same charge transport via polaron hopping. In fact, we quantitatively reproduce the sizable increment of the electron mobility measured for qHP C<sub>60</sub> and identify its origin in the increased electronic coupling between C<sub>60</sub> units.