Michael Deffner
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View article: Singlet-Triplet Kondo Effect in Blatter Radical Molecular Junctions: Zero-bias Anomalies and Magnetoresistance
Singlet-Triplet Kondo Effect in Blatter Radical Molecular Junctions: Zero-bias Anomalies and Magnetoresistance Open
The Blatter radical has been suggested as a building block in future molecular spintronic devices due to its radical character and expected long-spin lifetime. However, whether and how the radical character manifests itself in the charge t…
View article: Learning Conductance: Gaussian Process Regression for Molecular Electronics
Learning Conductance: Gaussian Process Regression for Molecular Electronics Open
Experimental studies of charge transport through single molecules often rely on break junction setups, where molecular junctions are repeatedly formed and broken while measuring the conductance, leading to a statistical distribution of con…
View article: Molecular dynamics trajectories obtained from simulations of mechanically-controlled break-junctions and associated zero-bias conductance.
Molecular dynamics trajectories obtained from simulations of mechanically-controlled break-junctions and associated zero-bias conductance. Open
This data set contains structural information and the associated zero-bias conductance of mechanically-controlled break-junction experiments. It contains: Six (multi) xyz files (trajectory_0X.xyz), which contain different trajectories prod…
View article: Learning Conductance: Gaussian Process Regression for Molecular Electronics
Learning Conductance: Gaussian Process Regression for Molecular Electronics Open
Experimental studies of charge transport through single molecules often rely on break junction setups, where molecular junctions are repeatedly formed and broken while measuring the conductance, leading to a statistical distribution of con…
View article: Learning Conductance: Gaussian Process Regression for Molecular Electronics
Learning Conductance: Gaussian Process Regression for Molecular Electronics Open
Experimental studies of charge transport through single molecules often rely on break junction setups, where molecular junctions are repeatedly formed and broken while measuring the conductance, leading to a statistical distribution of con…
View article: Carrier localization in zero-dimensional and one-dimensional CdSe–CdS heterostructures
Carrier localization in zero-dimensional and one-dimensional CdSe–CdS heterostructures Open
Mobile charge carriers in heterostructured nanoparticles are relevant for applications requiring charge separation and extraction. We investigate the benchmark systems CdSe–CdS core–shell quantum dots and quantum dots in quantum rods by op…
View article: Current vortices in aromatic carbon molecules
Current vortices in aromatic carbon molecules Open
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green's function method for transport, we demonstrate …
View article: The Limits of Inelastic Tunneling Spectroscopy for Identifying Transport Pathways
The Limits of Inelastic Tunneling Spectroscopy for Identifying Transport Pathways Open
Inelastic Electron Tunneling Spectroscopy (IETS) is a powerful tool to study the properties of molecular junctions. In particular, it is considered useful for extracting information on electron transport pathways. We explore the limits of …
View article: Postdeposition Ligand Exchange Allows Tuning the Transport Properties of Large‐Scale CuInSe<sub>2</sub> Quantum Dot Solids
Postdeposition Ligand Exchange Allows Tuning the Transport Properties of Large‐Scale CuInSe<sub>2</sub> Quantum Dot Solids Open
Colloidal quantum dots assembled into quantum dot solids usually suffer from poor conductivity. The most common charge transport mechanism through the solid is hopping transport where the hopping probability depends on the barrier type (st…
View article: Current Vortices in Aromatic Carbon Molecules
Current Vortices in Aromatic Carbon Molecules Open
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green’s function method for transport, we demonstrate …
View article: Current Vortices in Aromatic Carbon Molecules
Current Vortices in Aromatic Carbon Molecules Open
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilibrium Green’s function method for transport, we demonstrate …