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- Centre National de la Recherche ScientifiqueFR492 papers
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6 papers · 2 filters
The Effect of Intra-Layer Bonding on Electron-Optical Phase Images of Few-Layer WSe2
Sven Borghardt, Florian Winkler, Zeila Zanolli +4
The quantitative analysis of electron-optical phase images recorded using off-axis electron holography often relies on the use of computer simulations of electron propagation throu…
Effects of topological edge states on the thermoelectric properties of Bi nanoribbons
L. Cheng, H. J. Liu, J. H. Liang +4
Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbo…
Lattice thermal expansion and anisotropic displacements in α-sulfur from diffraction experiments and first-principles theory
Janine George, Volker L. Deringer, Ai Wang +3
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are rout…
On the mechanism of hydrophilicity of graphene
Guo Hong, Yang Han, Thomas M. Schutzius +7
It is generally accepted that the hydrophilic property of graphene can be affected by the underlying substrate. However, the role of intrinsic vs. substrate contributions and the r…
Grain-resolved kinetics and rotation during grain growth of nanocrystalline Aluminium by molecular dynamics
Paul W. Hoffrogge, Luis A. Barrales-Mora
Grain growth in nanocrystalline Al was studied by means of molecular dynamics simulations. The novelty of this study results from the utilization of an algorithm to resolve per-gra…
Hafnium carbide formation in oxygen deficient hafnium oxide thin films
C. Rodenbücher, E. Hildebrandt, K. Szot +6
On highly oxygen deficient thin films of hafnium oxide (hafnia, HfO) contaminated with adsorbates of carbon oxides, the formation of hafnium carbide (HfC) at the surfac…