Zobrazeno 1 - 10
of 175
pro vyhledávání: '"Kelires, P."'
Publikováno v:
The Journal of Physical Chemistry Letters 12 (2021) 9940-9946
On the basis of first-principles calculations and the special displacement method, we demonstrate the quantum confinement scaling law of the phonon-induced gap renormalization of graphene quantum dots (GQDs). We employ zigzag-edged GQDs with hydrogen
Externí odkaz:
http://arxiv.org/abs/2109.08733
Autor:
Zacharias, Marios, Seiler, Hélène, Caruso, Fabio, Zahn, Daniela, Giustino, Feliciano, Kelires, Pantelis C., Ernstorfer, Ralph
Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal non-equilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting exper
Externí odkaz:
http://arxiv.org/abs/2104.07900
Autor:
Zacharias, Marios, Seiler, Hélène, Caruso, Fabio, Zahn, Daniela, Giustino, Feliciano, Kelires, Pantelis C., Ernstorfer, Ralph
Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as non-equilibrium states. A quantitative analysis of inelastic scattering in terms of phonon excitations requ
Externí odkaz:
http://arxiv.org/abs/2103.10108
Silicon nanocrystals (SiNCs) have been under active investigation in the last decades and have been considered as a promising candidate for many optoelectronic applications including highly-efficient solar cells. Some of the fundamental properties of
Externí odkaz:
http://arxiv.org/abs/2005.11174
In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon matrix and are modeled here through classical and semi-empirical quantu
Externí odkaz:
http://arxiv.org/abs/1102.5632
We present atomistic simulations for the mechanical response of ultra nanocrystalline diamond, a polycrystalline form of diamond with grain diameters of the order of a few nm. We consider fully three-dimensional model structures, having several grain
Externí odkaz:
http://arxiv.org/abs/0807.2517
Ultra-nanocrystalline diamond is a polycrystalline material, having crystalline diamond grains of sizes in the nanometer regime. We study the structure and mechanical properties of this material as a function of the average grain size, employing atom
Externí odkaz:
http://arxiv.org/abs/0807.2410
Autor:
Fyta, Maria, Kelires, P. C.
Publikováno v:
Diam Relat Mater, 16 1676 (2007)
Theoretical calculations of the elastic response of carbon composites and amorphous carbon are reported. The studied composites consist of crystalline nanoinclusions, either spherical diamonds or carbon nanotubes, embedded in amorphous carbon matrice
Externí odkaz:
http://arxiv.org/abs/cond-mat/0703084
Publikováno v:
Diam Relat Mater, 16 1643 (2007)
The structural and elastic properties of diamond nanocomposites and ultrananocrystalline diamond films (UNCD) are investigated using both empirical potentials and tight binding schemes. We find that both materials are extremely hard, but their superb
Externí odkaz:
http://arxiv.org/abs/cond-mat/0702470
Autor:
Remediakis, Ioannis N., Fyta, Maria G., Mathioudakis, Christos, Kopidakis, Georgios, Kelires, Pantelis C.
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, amorphous carbon (a-C), ``amorphous diamond'' and nanocomposite amorpho
Externí odkaz:
http://arxiv.org/abs/cond-mat/0611368