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  • RPI SCOREC - Technical Reports
    report electron transport measurements from gold zinc porphyrin gold molecular junctions formed in an electromigrated nanogap Asymmetric current voltage I V behaviors about the zero bias voltage were observed at room temperature and 4 2 K These observations are in contrast to measurements from a nanogap without any molecules which are dominated by tunneling and display symmetric I V characteristics In addition increasing the gate voltage suppressed the current through

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=645 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    their constituting elements The barbells considered in this study are built from graphene nanoribbons GNRs with either a zigzag or armchair mono hydrogen terminated edge structure The mechanism of bandgap variations is rationalized on the existence of specific boundary conditions imposed on the spin distribution at the interface as well as on the property of the junction channel It is established that the nature of the spin polarized conductance pattern

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=646 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    sheets of nitrogen doped graphene determined that a highly predominant amount of nitrogen dopants 80 are present in pairs of neighbouring atoms of the same sublattice A denoted as N 2 AA dopants following the notation of Lv et al Here we explore the electronic and transport properties of armchair aGNR and zigzag zGNR graphene nanoribbons under different orientations of the N 2 AA dopants with respect to the ribbon

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=647 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    This suggests that during growth nitrogen atoms promote loop formation undoped GNRs do not form loops at their edges Transport measurements on individual pure GNRs exhibit a linear I V current voltage behavior whereas Nx GNRs show reduced current responses following a semiconducting like behavior which becomes more prominent for high nitrogen concentrations To better understand the experimental findings electron density of states DOS quantum conductance for nitrogen doped zigzag

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=648 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    in order to perform molecular dynamics simulations to understand and optimize the molecular storage properties inside graphene oxide frameworks GOFs A set of boron related parameters for commonly used empirical force fields is determined to describe the nonbonded and bonded interactions between linear boronic acid linkers and graphene sheets of GOF materials The transferability of the parameters is discussed and their validity is quantified by comparing quantum mechanical and molecular

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=649 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    dimensional wiggle edged graphene nanoribbons GNRs that have been synthesized using an atomically precise bottom up approach They are known to possess superior thermoelectric properties compared to straight GNRs Here first principles density functional theory calculations establish that these properties can be further enhanced when they undergo a structural dislocation While such plastic deformation raises the figure of merit ZT above 1 at room temperature an elastic deformation under uniaxial

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=650 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    organized into a circuit board pattern on a Cu 100 surface Scanning tunneling microscopy spectroscopy STM S corroborated by ab initio calculations reveals the atomistic details of the molecular structure and provides a clear signature of electronic and vibrational properties of the poly phenylacetylene s chains Notably the polymerization reaction is confined epitaxially to the copper lattice despite a large strain along the polymerized chain that subsequently renders it metallic

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=651 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    pattern on a Cu 100 surface Scanning tunneling microscopy spectroscopy STM S corroborated by ab initio calculations reveals the atomistic details of the molecular structure and provides a clear signature of electronic and vibrational properties of the poly phenylacetylene s chains Notably the polymerization reaction is confined epitaxially to the copper lattice despite a large strain along the polymerized chain that subsequently renders it metallic Polymerization and depolymerization reactions can

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=652 (2015-07-15)
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