UNT Scholarly Works - 403 Matching Results

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Phase Equilibria in High Energy Density PVDF-Based Polymers

Article on phase equilibria in high energy density PVDF-based polymers.

Date: July 27, 2007

Creator: Ranjan, Vivek; Yu, Liping; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?

Article on ad-dimers on strained carbon nano-tubes.

Date: November 15, 1999

Creator: Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

Article on ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.

Date: 2004

Creator: Nakhmanson, Serge M.; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.

Date: August 12, 2005

Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Dynamic Conductance of Carbon Nanotubes

Article on dynamic conductance of carbon nanotubes.

Date: March 27, 2000

Creator: Roland, Christopher; Buongiorno Nardelli, Marco; Wang, Jian & Guo, Hong

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Symmetry-induced intermittency in a stochastic reflexive model

Article on symmetry-induced intermittency in a stochastic reflexive model.

Date: February 21, 2012

Creator: Palatella, Luigi & Grigolini, Paolo

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Carbon Nanotube-Metal Cluster Composites: A New Road to Chemical Sensors?

Article on carbon nanotube-metal cluster composites proposed as prototype systems for molecular recognition at the nanoscale.

Date: unknown

Creator: Zhao, Qingzhong; Buongiorno Nardelli, Marco; Lu, W. & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

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High-pressure low-symmetry phases of cesium halides

In this article, the relative stability of different high-pressure phases of various cesium halides is studied from first principles and analyzed using the Landau theory of phase transitions.

Date: April 1, 1995

Creator: Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Strain effects on the interface properties of nitride semiconductors

Article on the strain effects on the interface properties of nitride semiconductors.

Date: March 15, 1997

Creator: Buongiorno Nardelli, Marco; Rapcewicz, Krzysztof & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Article on ab initio transport properties of nanostructures from maximally localized Wannier functions.

Date: January 22, 2004

Creator: Calzolari, Arrigo; Marzari, Nicola; Souza, Ivo & Buongiorno Nardelli, Marco

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Structural and electronic properties of carbon nanotube tapers

Article on structural and electronic properties of carbon nanotube tapers, a set of nanostructures comprised of straight tubular sections with decreasing diameters, joined to each other via conical funnels and terminated with a hemispherical cap.

Date: October 29, 2001

Creator: Meunier, Vincent; Buongiorno Nardelli, Marco; Roland, Christopher & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Ultimate strength of carbon nanotubes: A theoretical study

Article on a theoretical study of the ultimate strength of carbon nanotubes.

Date: March 27, 2002

Creator: Zhao, Qingzhong; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube - metal contacts

Article on O(N) real-space method for ab initio quantum transport calculations and application to carbon nanotube-metal contacts.

Date: December 10, 2001

Creator: Buongiorno Nardelli, Marco; Fattebert, Jean-luc & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Theoretical STM signatures and transport properties of native defects in carbon nanotubes

Article on theoretical STM signatures and transport properties of native defects in carbon nanotubes.

Date: May 15, 2000

Creator: Orlikowski, Daniel; Buongiorno Nardelli, Marco; Bernholc, Jerry & Roland, Christopher

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

First-principles theory of metal-alkaline earth oxide interfaces

Article on the first-principles theory of metal-alkaline earth oxide interfaces.

Date: June 21, 2006

Creator: Nuñez, Matías & Buongiorno Nardelli, Marco

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces

Article on first-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces. Nanoscale-resolved dielectric properties of polypropylene/metal-oxide (alumina, PbTiO₃) interfaces and of the corresponding surfaces are investigated via first-principles calculations.

Date: October 30, 2009

Creator: Yu, Liping; Ranjan, Vivek; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations

Article on the equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations. In this work, the authors compare the dipole correction and Coulomb cutoff methods under the same conditions in the framework of plane-wave based density-functional theory.

Date: June 3, 2008

Creator: Yu, Liping; Ranjan, Vivek; Lu, W.; Bernholc, Jerry & Buongiorno Nardelli, Marco

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene

Article on collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene.

Date: September 23, 2005

Creator: Nakhmanson, Serge M.; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

First-principles analysis of electron-phonon interactions in graphene

Article on first-principles analysis of electron-phonon interactions in graphene.

Date: March 16, 2010

Creator: Borysenko, Kostyantyn M.; Mullen, Jeffrey T.; Barry, E. A.; Paul, S.; Semenov, Yuriy G.; Zavada, J. M. et al.

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Theory of surface morphology of wurtzite GaN (0001) surfaces

Article on the theory of surface morphology of wurtzite GaN (0001) surfaces.

Date: November 15, 1997

Creator: Rapcewicz, Krzysztof; Buongiorno Nardelli, Marco & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Electronic transport in extended systems: Application to carbon nanotubes

Article on electronic transport in extended systems and the application to carbon nanotubes.

Date: September 15, 1999

Creator: Buongiorno Nardelli, Marco

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Spontaneous polarization and piezoelectricity in boron nitride nanotubes

Article on spontaneous polarization and piezoelectricity in boron nitride nanotubes.

Date: June 10, 2003

Creator: Nakhmanson, Serge M.; Calzolari, Arrigo; Meunier, Vincent; Bernholc, Jerry & Buongiorno Nardelli, Marco

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Mechanism of strain release in carbon nanotubes

Article on the mechanism of strain release in carbon nanotubes.

Date: February 15, 1998

Creator: Buongiorno Nardelli, Marco; Yakobson, Boris I. & Bernholc, Jerry

Item Type: Article

Partner: UNT College of Arts and Sciences

open access

Ordering of a prototypical conjugated molecular system during monolayer growth on the (1 x 2)- Au(110) surface

Article on the ordering of a prototypical conjugated molecular system during monolayer growth on the (1x2)-Au(110) surface.

Date: 1996

Creator: Buongiorno Nardelli, Marco; Cvetko, D.; De Renzi, V.; Floreano, L.; Gotter, R.; Morgante, A. et al.

Item Type: Article

Partner: UNT College of Arts and Sciences

UNT Scholarly Works - 403 Matching Results

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Phase Equilibria in High Energy Density PVDF-Based Polymers

Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?

Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Dynamic Conductance of Carbon Nanotubes

Symmetry-induced intermittency in a stochastic reflexive model

Carbon Nanotube-Metal Cluster Composites: A New Road to Chemical Sensors?

High-pressure low-symmetry phases of cesium halides

Strain effects on the interface properties of nitride semiconductors

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Structural and electronic properties of carbon nanotube tapers

Ultimate strength of carbon nanotubes: A theoretical study

O(N) real-space method for ab initio quantum transport calculations: Application to carbon nanotube - metal contacts

Theoretical STM signatures and transport properties of native defects in carbon nanotubes

First-principles theory of metal-alkaline earth oxide interfaces

First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces

Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations

Collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene

First-principles analysis of electron-phonon interactions in graphene

Theory of surface morphology of wurtzite GaN (0001) surfaces

Electronic transport in extended systems: Application to carbon nanotubes

Spontaneous polarization and piezoelectricity in boron nitride nanotubes

Mechanism of strain release in carbon nanotubes

Ordering of a prototypical conjugated molecular system during monolayer growth on the (1 x 2)- Au(110) surface