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TT: Fachverband Tiefe Temperaturen

TT 54: 2D Materials IV: Graphene (joint session O/TT)

TT 54.3: Topical Talk

Mittwoch, 20. März 2024, 15:30–16:00, MA 005

Tuning quantum electronic transport in nanoporous graphene — •Aran Garcia-Lekue — Donostia International Physics Center (DIPC), San Sebastian, Spain — Ikerbasque, Basque Foundation for Science, Bilbao, Spain

Recent experimental advances have demonstrated that graphene nanoribbons (GNRs) can be laterally coupled with atomic precision to obtain a nanoporous graphene (NPG) structure with highly anisotropic electronic properties.[1] Moreover, simulations have shown that the lateral coupling of GNRs leads to sizable interribbon transmission giving rise to intriguing interference patterns,[2] and that such interribbon transmission can be switched on/off by the chemical modification of the coupling bridges.[3]

Using density functional theory (DFT) and a multiscale transport method based on DFT combined with nonequilibrium Green's functions (NEGF), we have carried out electronic structure and current simulations for different NPG systems. First, in collaboration with our experimental colleagues, we have explored a new NPG that, provided by specifically designed coupling bridges, shows additional degrees of freedom to control the in-plane current.[4] Besides, we have investigated a bilayer composed of NPG and graphene, concluding that the interlayer current can be tuned by changing their relative twist angle.

[1] Moreno et al., Science 360, 199 (2018) [2] Calogero et al., ; Nano Lett. 19, 576 (2019) [3] Calogero et al., JACS 141, 13081 (2019) [4] Moreno et al., JACS 145, 8988 (2023)

Keywords: Graphene; Density Functional Theory; Quantum Transport