4.5k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- ETH ZurichCH46 papers
- University of BolognaIT11 papers
- Haute Ecole Arc IngénierieCH4 papers
- HES-SO ArcCH4 papers
- IBM Research - ZurichCH4 papers
- HES-SO University of Applied Sciences and Arts Western SwitzerlandCH3 papers
- National Institute for Materials ScienceJP3 papers
- École Polytechnique Fédérale de LausanneCH2 papers
- Fondazione Bruno KesslerIT2 papers
- Purdue University West LafayetteUS2 papers
- Rice UniversityUS2 papers
- University of Alabama in HuntsvilleUS2 papers
9 papers · 1 filter
Ab Initio Modeling of Thermal Transport through van der Waals Materials
Sara Fiore, Mathieu Luisier
An advanced modeling approach is presented to shed light on the thermal transport properties of van der Waals materials (vdWMs) composed of single-layer transition metal dichalcoge…
Lithiation-delithiation cycles of amorphous Si nanowires investigated by molecular dynamics simulations
Julien Godet, Teute Bunjaku, Mathieu Luisier
The atomistic mechanisms during lithiation and delithiation of amorphous Si nanowires (-SiNW) have been investigated over cycles by molecular dynamics simulations. First, the Mo…
One-dimensional edge contacts to a monolayer semiconductor
Achint Jain, Áron Szabó, Markus Parzefall +6
Integration of electrical contacts into van der Waals (vdW) heterostructures is critical for realizing electronic and optoelectronic functionalities. However, to date no scalable m…
Thermal Properties of Disordered LixMoS2 - An Ab-Initio Study
Teutë Bunjaku, Mathieu Luisier
An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the…
Electronic Properties of Lithiated SnO-based Anode Materials
Dominik Bauer, Teute Bunjaku, Andreas Pedersen +1
In this paper we use an ab-initio quantum transport approach to study the electron current flowing through lithiated SnO anodes for potential applications in Li-ion batteries. By i…
Diffusion Mechanisms in LiCoO -- A Computational Study
Teutë Bunjaku, Andreas Pedersen, Mathieu Luisier
An atomistic study of the order-effect occurring in LiCoO at is presented and an explanation for the computationally and experimentally observed dip in the Li d…
Compositional bowing of band energies and their deformation potentials in strained InGaAs ternary alloys: a first-principles study
Petr A. Khomyakov, Mathieu Luisier, Andreas Schenk
Using first-principles calculations, we show that the conduction and valence band energies and their deformation potentials exhibit a non-negligible compositional bowing in straine…
The reversible lithiation of SnO: a three-phase process
Andreas Pedersen, Petr A. Khomyakov, Mathieu Luisier
A high reversible capacity is a key feature for any rechargeable battery. In the lithium-ion battery technology, tin-oxide anodes do fulfill this requirement, but a fast loss of ca…
Giant Quasiparticle Bandgap Modulation in Graphene Nanoribbons Supported on Weakly Interacting Surfaces
Xueping Jiang, Neerav Kharche, Paul Kohl +5
In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy o…