Simon Loftager

Stability and Polaronic Motion of Self-Trapped Holes in Silver Halides: Insight through DFT+U Calculations

J. A. Aramburu, J. M. García‐Lastra, P. García-Fernández, 2016 .

A Density Functional Theory Study of the Ionic and Electronic Transport Mechanisms in LiFeBO3 Battery Electrodes

J. M. García‐Lastra, T. Vegge, Simon Loftager, 2016 .

Density Functional Theory Study of Redox Potential Shifts in LixMnyFe1–yPO4 Battery Electrodes

J. M. García‐Lastra, S. Schougaard, T. Vegge, 2018, The Journal of Physical Chemistry C.

A density functional theory study of the carbon-coating effects on lithium iron borate battery electrodes.

J. M. García‐Lastra, T. Vegge, Simon Loftager, 2017, Physical chemistry chemical physics : PCCP.

Charge Localization in the Lithium Iron Phosphate Li3Fe2(PO4)3 at High Voltages in Lithium-Ion Batteries.

J. M. García‐Lastra, P. Norby, R. Younesi, 2015, ChemSusChem.

Electron dynamics on the surface of a three-dimensional topological insulator

J. Paaske, Simon Loftager, 2012 .

On-the-fly assessment of diffusion barriers of disordered transition metal oxyfluorides using local descriptors

A. Bhowmik, T. Vegge, J. M. G. Lastra, 2021, Electrochimica Acta.

A Density Functional Theory Study of the Ionic and Electronic Transport Mechanisms in LiFeBO 3 Battery Electrodes

J. M. García‐Lastra, T. Vegge, Simon Loftager, 2016 .