ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes

DOI10.1016/J.CPC.2017.10.005MaRDI QIDQ6096973zbMATH OpenOpenAlexFDO

Authors Roman Korol, Michael Kilgour, Dvira Segal

Publication date 9 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2017.10.005

zbMATH Keywords

quantum interferencethermopowertransport mechanismsOnsager coefficientsthermoelectric efficiencymolecular junctionsbüttiker probeDNA conductance

Mathematics Subject Classification ID

Quantum theory (81-XX) Classical thermodynamics, heat transfer (80-XX)

Cites work

• Characterizing destructive quantum interference in electron transport
• Fundamental aspects of steady-state conversion of heat to work at the nanoscale
• Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta

Cited in

(1)

• Impact of dephasing probes on incommensurate lattices

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