Search Results - "Russo, P. S"
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Ab initio calculation of energy levels for phosphorus donors in silicon
Published in Scientific reports (20-07-2017)“…The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modeling of electronic devices on the…”
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2
Simulating the fabrication of aluminium oxide tunnel junctions
Published in npj quantum information (28-01-2021)“…Aluminium oxide (AlO x ) tunnel junctions are important components in a range of nanoelectric devices including superconducting qubits where they can be used…”
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3
Optical properties of a conjugated-polymer-sensitised solar cell: the effect of interfacial structure
Published in Physical chemistry chemical physics : PCCP (14-06-2015)“…Dye-sensitised solar cells (DSSCs) have sparked considerable interest over two decades. Recently, a method of polymer-wire sensitisation was demonstrated; the…”
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4
Stability and Transformations of Heated Gold Nanorods
Published in Journal of physical chemistry. C (24-03-2011)“…We have simulated the heating process of gold nanorods, elucidating a mechanism by which nanorods alter their aspect ratio at higher temperatures. We also…”
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Morphological and phase stability of zinc blende, amorphous and mixed core-shell ZnS nanoparticles
Published in Nanoscale (01-01-2010)“…Zinc sulfide (ZnS) nanoparticles are of interest for their luminescent and catalytic properties which are being considered for the next generation of optical,…”
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Effect of Length on the Diffusion of a Rodlike Polymer at Concentrations Spanning the Isotropic−Lyotropic Transition
Published in The journal of physical chemistry. B (15-04-2010)“…The optical tracer self-diffusion of rodlike poly(benzyl-α,l-glutamate) (PBLG) is measured in pyridine solutions spanning the isotropic−liquid crystalline…”
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7
Structure and Energetics of Single-Walled Armchair and Zigzag Silicon Nanotubes
Published in The journal of physical chemistry. B (07-08-2003)“…In past years carbon nanotubes have been the subject of intensive experimental and theoretical efforts, probing their structural, energetic, mechanical, and…”
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8
Singlet Exciton Dynamics of Perylene Diimide- and Tetracene-Based Hetero/Homogeneous Substrates via an Ab Initio Kinetic Monte Carlo Model
Published in Journal of physical chemistry. C (04-11-2021)“…Luminescent solar concentrators (LSCs) are devices that trap a portion of the solar spectrum and funnel it toward photon-harvesting devices. The modeling of…”
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Structural relaxation and relative stability of nanodiamond morphologies
Published in Diamond and related materials (01-10-2003)“…Presented here are the results of ab initio Density Functional Theory (DFT) relaxations performed on nanocrystalline diamond structures of cubic {100},…”
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Ab Initio Modeling of Diamond Nanowire Structures
Published in Nano letters (01-10-2003)“…Presented are results of our ab initio study of the structural relaxation of diamond nanowires, with dodecahedral and cubododecahedral morphology, showing that…”
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Effect of type 2 diabetes on plasma kallikrein activity after physical exercise and its relationship to post-exercise hypotension
Published in Diabetes & metabolism (01-11-2010)“…Abstract Aim The present study was undertaken to determine the effects of type 2 diabetes (T2D) on plasma kallikrein activity (PKA) and postexercise…”
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12
The effect of grain refining on macrosegregation and dendrite arm spacing of direct chill cast AA5182
Published in Metallurgical and materials transactions. A, Physical metallurgy and materials science (01-07-2003)“…The effect of titanium and titanium diboride inoculation on the spatial variation of local solidification time for direct chill (DC) cast ingots of aluminum…”
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13
Electronic properties of δ -doped Si:P and Ge:P layers in the high-density limit using a Thomas-Fermi method
Published in Physical review. B, Condensed matter and materials physics (13-01-2014)“…We present a scalable method for calculating the electronic properties of a delta -doped phosphorus layer in silicon and germanium. Our calculations are based…”
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14
Shape and Thermodynamic Stability of Pyrite FeS2 Nanocrystals and Nanorods
Published in Journal of physical chemistry. C (09-08-2007)“…The pyrite polymorph of iron disulfide (FeS2) has been attracting considerable attention, as it shows promise for solar energy conversion devices, solid-state…”
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15
Effect of atomic structure on the electrical response of aluminum oxide tunnel junctions
Published in Physical review research (31-01-2020)“…Many nanoelectronic devices rely on thin dielectric barriers through which electrons tunnel. For instance, aluminium oxide barriers are used as Josephson…”
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16
Long-time behavior of the velocity autocorrelation function for moderately dense, soft-repulsive, and Lennard-Jones fluids
Published in Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics (01-02-2001)“…The long-time behavior of the velocity autocorrelation function (VAF), for hard disk and sphere systems, has been extensively explored. Its behavior for…”
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Ab initio modelling of the stability of nanocrystalline diamond morphologies
Published in Philosophical magazine letters (01-01-2003)“…Ab initio (density functional theory) relaxation of nanocrystalline diamond structures of cubic, octahedral and cuboctahedral morphologies, up to about 1.3 nm…”
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First-Principles Modeling of Dopants in C29 and C29H24 Nanodiamonds
Published in The journal of physical chemistry. B (23-06-2005)“…Presented here is our continuing first-principles density functional theory study of the structural stability of a select group of dopants in diamond…”
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19
Ab initio modelling of band states in doped diamond
Published in Philosophical magazine (Abingdon, England) (21-03-2003)“…Presented in this study is an analysis of the electronic properties of doped diamond calculated using the Vienna ab initio simulation package, employing…”
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HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials
Published in Computer physics communications (01-06-2014)“…The Hybrid Reverse Monte Carlo (HRMC) code models the atomic structure of materials via the use of a combination of constraints including experimental…”
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