Pantelides S.T. – TechConnect Briefs

Molecular Electronics by the Numbers

Pantelides S.T., Di Ventra M., Lang N.D., Rashkeev S.N., Vanderbilt University, US

The paper gives an overview of recent work by the authors in first-principles, parameter-free calculations of electronic transport in molecules in the context of experimental measurements of current-voltage (I-V) characteristics of several molecules by Reed [...]

Spatially Resolved Electron Energy-Loss Spectroscopy, a Tool to Verify Electronic Structure Calculations in Nanostructured Materials

Duscher G., Plitzko J., Kisielowski C., Buzko R., Pennycook S.J., Pantelides S.T., North Carolina State University, US

Modern mcroscopy allows a direct comparison between experimental results and the atomic and electronic structure as obtained by state of the art ab-initio calculations. The phase reconstruction technique allows one to determine the positions of [...]

Spatially Resolved Electron Energy-Loss Spectroscopy, a Tool to Verify Electronic Structure Calculations in Nanostructured Materials

Duscher G., Plitzko J., Kisielowski C., Buzko R., Pennycook S.J., Pantelides S.T., North Carolina State University, US

Modern mcroscopy allows a direct comparison between experimental results and the atomic and electronic structure as obtained by state of the art ab-initio calculations. The phase reconstruction technique allows one to determine the positions of [...]

Electronic Transport in Molecular Devices from First Principles

Di Ventra M., Lang N.D., Pantelides S.T., Virginia Tech, US

We present an overview of recent work by the authors in first-principles calculations of electronic transport in molecules for which experimental results are available. We find that the shape of the current-voltage characteristics is mostly [...]