Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides

We have carried out first-principles density functional calculations on the mechanical response of two-dimensional (2D) monolayer group VI transition metal dichalcogenides (TMDs) to large elastic deformation. We find that the ultimate strength and the overall stress response of these 2D materials is...

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Veröffentlicht in:	Journal of physical chemistry. C 2013-08, Vol.117 (30), p.15842-15848
Hauptverfasser:	Li, Junwen, Medhekar, Nikhil V, Shenoy, Vivek B
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Electron states Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Mechanical and acoustical properties of condensed matter Mechanical properties of nanoscale materials Methods of electronic structure calculations Physics
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