Browsing Τμήμα Μηχανικών Μηχανολογίας και Κατασκευαστικής / Department of Mechanical and Manufacturing Engineering by Subject "Quantum chemistry"
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Article
Current transport in semiconductor nanowires with built-in barriers based on a 1D transfer matrix calculation
(2008)A one dimensional (1D) transfer matrix calculation of current transport in semiconductor nanowires with built-in barriers is described within the effective mass approximation by taking into account (i) the quantum confinement ...
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Article
Current Transport Properties of CuS/Sn:In2O3 versus CuS/SnO2 Nanowires and Negative Differential Resistance in Quantum Dot Sensitized Solar Cells
(2016)The structural, optical, and electrical transport properties of nanowires obtained by the deposition of Cu over Sn doped In2O3 and SnO2 nanowires followed by processing under H2S between 100 and 500°C have been investigated ...
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Article
Molecular dynamic simulations of carbon nanotubes in CO2 atmosphere
(2008)This work investigates by means of molecular dynamics the filling of carbon nanotubes by carbon dioxide molecules. Nanotubes of various sizes are simulated and the resulting CO2 density calculated. The effects of various ...
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Article
Self-diffusivity, hydrogen bonding and density of different water models in carbon nanotubes
(2008)In this paper, the density, hydrogen bonding and self-diffusivity of water confined in carbon nanotubes are investigated. Molecular dynamics is used to simulate a large variety of nanotubes with various water models. Our ...