Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctions

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Abstract

Charge transport signatures of a carbon-based molecular switch consisting of different tautomers of metal-free porphyrin embedded between graphene nanoribbons is studied by combining electronic structure and nonequilibrium transport. Different low-energy and low-bias features are revealed, including negative differential resistance (NDR) and antiresonances, both mediated by subtle quantum interference effects. Moreover, the molecular junctions can display moderate rectifying or nonlinear behavior depending on the position of the hydrogen atoms within the porphyrin core. We rationalize the mechanism leading to NDR and antiresonances by providing a detailed analysis of transmission pathways and frontier molecular orbital distribution.

Details

OriginalspracheEnglisch
Seiten (von - bis)3950–3955
Seitenumfang6
FachzeitschriftThe journal of physical chemistry letters
Jahrgang6
Ausgabenummer19
PublikationsstatusVeröffentlicht - 1 Okt. 2015
Peer-Review-StatusJa

Externe IDs

PubMed 26722897
Scopus 84942892553
ORCID /0000-0001-8121-8041/work/195440400

Schlagworte

Schlagwörter

  • theory: charge transport