QFluctTrans | Thermodynamics of Quantum Transport

Summary
Electronic components are shrinking and finally reaching the scale of single molecules; promising novel applications to sensors, photovoltaics, heating and electronics. As these components get smaller, important and new physical phenomena impose limitations on how these devices can operate. Quantum mechanics and non-equilibrium thermodynamical fluctuations dominate, challenging all the conventional engineering tools accepted in electronics.

The objective of this proposal is to use the novel tools from quantum non-equilibrium thermodynamics to understand the effects of fluctuations in transport in such devices. Average quantities that were good to characterize and control devices in the classical scale become inadequate, as the fluctuations of single trajectories of particles become very large. Although much work has been done to understand quantum thermodynamics, many questions are open regarding its impact on transport on molecular devices.
The objective we propose will be addressed by research focused on overcoming the following challenges: (i) Understand the effect of quantum coherence as a thermodynamic potential in molecular devices. (ii) Apply the Open Quantum Systems TD-DFT functional to model transport in molecular devices (iii) Develop a consistent method to characterize transport devices with large quantum fluctuations

Each of these rely on existing theoretical techniques, but they have not been used together for the proposed purpose before.
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More information & hyperlinks
Web resources: https://cordis.europa.eu/project/id/706890
Start date: 01-04-2016
End date: 31-08-2018
Total budget - Public funding: 170 121,60 Euro - 170 121,00 Euro
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Original description

Electronic components are shrinking and finally reaching the scale of single molecules; promising novel applications to sensors, photovoltaics, heating and electronics. As these components get smaller, important and new physical phenomena impose limitations on how these devices can operate. Quantum mechanics and non-equilibrium thermodynamical fluctuations dominate, challenging all the conventional engineering tools accepted in electronics.

The objective of this proposal is to use the novel tools from quantum non-equilibrium thermodynamics to understand the effects of fluctuations in transport in such devices. Average quantities that were good to characterize and control devices in the classical scale become inadequate, as the fluctuations of single trajectories of particles become very large. Although much work has been done to understand quantum thermodynamics, many questions are open regarding its impact on transport on molecular devices.
The objective we propose will be addressed by research focused on overcoming the following challenges: (i) Understand the effect of quantum coherence as a thermodynamic potential in molecular devices. (ii) Apply the Open Quantum Systems TD-DFT functional to model transport in molecular devices (iii) Develop a consistent method to characterize transport devices with large quantum fluctuations

Each of these rely on existing theoretical techniques, but they have not been used together for the proposed purpose before.

Status

CLOSED

Call topic

MSCA-IF-2015-EF

Update Date

28-04-2024
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Horizon 2020
H2020-EU.1. EXCELLENT SCIENCE
H2020-EU.1.3. EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions (MSCA)
H2020-EU.1.3.2. Nurturing excellence by means of cross-border and cross-sector mobility
H2020-MSCA-IF-2015
MSCA-IF-2015-EF Marie Skłodowska-Curie Individual Fellowships (IF-EF)