ductor devices. A self consistent Schrodinger – Poisson solver allows calculation of bound state energies and associated carrier wave functions self consistently with electrostatic potential. Schrodinger solvers can be combined with Non-equilibrium Green’s Function (NEGF) Approach in order to model ballistic quantum transport in 2D or cylindrical devices with strong transverse confinement. An a...

Damle Prashant Subhash Ph D Purdue University May Nanoscale device modeling from MOSFETs to molecules Major Professor Supriyo Datta This thesis presents a rigorous yet practical approach to model quantum transport in nanoscale electronic devices As conventional metal oxide semiconductor devices shrink below the one hundred nanometer regime quantum mechanical e ects are be ginning to play an inc...

Over the recent years, numerical modelling and computer based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science. In this paper, we present the computational studies about the mechanical and transport properties of armchair (4, 4) and zigzag (4, 0) single walled carbon nanotubes (SWCNT). Unlike other materials, carbon nanotube...

In this work, we demonstrated the logic gate design using pyrrole based single molecular field effect transistor (FET) for the first time. The semi empirical quantum transport method, which is applying non-equilibrium Green’s function (NEGF) in combination with self-consistent extended Huckel theory (SCEHT), has been adopted to study the charge transport characteristics of a modeled device. By ...

The formation of multidomain epitaxial graphene on Rh(111) under ultra-high vacuum (UHV) conditions has been characterized by scanning tunnelling microscopy (STM) measurements and density functional theory (DFT) calculations. At variance with the accepted view for strongly interacting graphene-metal systems, we clearly demonstrate the formation of different rotational domains leading to multipl...

In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green's function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameteri...

After weaning, groups of rats were fed a semi-purified diet containing fiddlehead greens (the unfuried frond of the ostrich fern Matteuccia struthiopteris), mature bracken fern (Pteridium aquilinum), or cycad meal (Cycas circinalis), or this diet plus aflatoxin B1. The groups fed 1-10% fiddlehead greens for 70-73 weeks developed no tumors, whereas those fed mature bracken fern for 67 weeks deve...

The use of γ-graphyne-1 nanotubes (GyNTs) in tunneling field effect transistors (TFETs) suppresses ambipolarity and enhances the subthreshold swing (\(\mathrm{SS}\)) TFETs, due to large energy band gap high electron effective mass GyNTs. In this research, analysis structural, electronic thermoelectric properties family under deformation potential (DP) approach reveals that electron–phonon mean ...

In 1998, researchers at the University of Maryland discovered a new disease of creeping bentgrass caused by an unidentified species of Ophiosphaerella. Through morphological and molecular study, it was shown that the pathogen constituted a new species, Ophiosphaerella agrostis, and the disease was named bentgrass dead spot. Subsequently, O. agrostis was found in Texas and Florida causing dead s...