Dr. Juan María García Lastra

ETSF Associated Assistant Professor.Department of Energy Conversion and Storage.Technical University of Denmark (DTU)

Email

scpgalaj [at] ehu [dot] es

Country

Denmark

Research Information

Research Overview

Computational methods

Developing of kinetic energy functionals for the free-orbitals DFT scheeme

Nanoclusters

Optical properties of doped TiO2 clusters. Transition metal-benzene sandwiches.

Molecular transport and Nanostructures and Nanotubes

Electronic and Phonon transport properties in carbon nanotubes.

Bulk Systems and Surfaces

Study of insulators doped with transition metals. High pressure and Jahn-Teller effect. Optical properties.

Related Research Areas

• Electronic and Thermal transport
• Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)
• Nanostructures and nanotubes. Nanocapilarity
• Scientific computing

Latest publications

Electronic Structure of Low-Dimensional Carbon ð-Systems

J. M. García-Lastra,I. Boukahil, R.Qiao, A.Rubio, F. J. Himpsel
Journal Of Physical Chemistry C 120 (23), 12362 - 12368 (2016)

Influence of Axial and Peripheral Ligands on the Electronic Structure of Ti-phthalocyanines

D.F. Pickup, I. Zegkinoglou, B. Ballesteros, C.R. Ganivet, J. M. García-Lastra, P.L. Cook, P.S. Johnson, C. Rogero, F. de Groot, A. Rubio, G.de la Torre, J.E.Ortega, F. J. Himpsel
Journal Of Physical Chemistry C 117 (9), 4410–4420 (2013)

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