Works (79)

Updated: March 10th, 2025 12:14

2016 journal article

First-principles simulations of PVDF copolymers with high dielectric energy density: PVDF-HFP and PVDF-BTFE

Physical Review B, 94(1).

topics (OpenAlex): Dielectric materials and actuators; Advanced Sensor and Energy Harvesting Materials; Ferroelectric and Piezoelectric Materials
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2015 journal article

Atomistic simulations of aromatic polyurea and polyamide for capacitive energy storage

Physical Review B, 92(2).

topics (OpenAlex): Dielectric materials and actuators; Polymer composites and self-healing; Fuel Cells and Related Materials
Sources: Web Of Science, NC State University Libraries, Crossref
Added: August 6, 2018

2012 journal article

Activation of water on the TiO2 (110) surface: The case of Ti adatoms

JOURNAL OF CHEMICAL PHYSICS, 136(6).

MeSH headings : Adsorption; Models, Molecular; Surface Properties; Titanium / chemistry; Water / chemistry
topics (OpenAlex): Catalytic Processes in Materials Science; Gas Sensing Nanomaterials and Sensors; Advanced Photocatalysis Techniques
TL;DR: The results provide fundamental insights into the microscopic mechanisms that drive this reaction at the atomic level and assess the possibility of using this system to activate the water dissociation reaction, showing that a single water molecule dissociates exothermically with a small energy barrier. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2012 journal article

Electric Field Induced Phase Transitions in Polymers: A Novel Mechanism for High Speed Energy Storage

Physical Review Letters, 108(8).

By: V. Ranjan n, M. Nardelli n & J. Bernholc n

topics (OpenAlex): Advanced Sensor and Energy Harvesting Materials; Dielectric materials and actuators; Ferroelectric and Piezoelectric Materials
TL;DR: Using first-principles simulations, this work identifies the microscopic origin of the nonlinear dielectric response and high energy density of polyvinylidene-fluoride-based polymers as a cooperative transition path that connects nonpolar and polar phases of the system. (via Semantic Scholar)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2012 journal article

Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces

Physical Review B, 85(12).

topics (OpenAlex): Graphene research and applications; Advancements in Battery Materials; Silicon Carbide Semiconductor Technologies
Sources: Web Of Science, Crossref
Added: August 6, 2018

2011 journal article

Electron-phonon interactions in bilayer graphene

Physical Review B, 83(16).

By: K. Borysenko n, J. Mullen n, X. Li n, Y. Semenov n, J. Zavada n, M. Nardelli n, K. Kim n

topics (OpenAlex): Graphene research and applications; Thermal properties of materials; Carbon Nanotubes in Composites
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7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, Crossref
Added: August 6, 2018

2011 journal article

Electronic properties of the graphene/6H-SiC(0001¯) interface: A first-principles study

Physical Review B, 84(3).

topics (OpenAlex): Graphene research and applications; Silicon Carbide Semiconductor Technologies; Advancements in Battery Materials
Sources: Web Of Science, Crossref
Added: August 6, 2018

2010 journal article

Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)

Physical Review Letters, 104(14).

topics (OpenAlex): Graphene research and applications; Graphene and Nanomaterials Applications; Boron and Carbon Nanomaterials Research
TL;DR: Using calculations from first principles, it is shown how specific interface modifications can lead to a fine-tuning of the doping and band alignment in epitaxial graphene on SiC, and the potential for graphene utilization in innovative electronic and spintronic devices is established. (via Semantic Scholar)
Sources: Web Of Science, Crossref
Added: August 6, 2018

2010 journal article

Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate-Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111)

JOURNAL OF PHYSICAL CHEMISTRY C, 114(19), 8917–8925.

By: N. Santagata n, A. Lakhani n, B. Davis n, P. Luo n, M. Nardelli n & T. Pearl n

topics (OpenAlex): Surface Chemistry and Catalysis; Surface and Thin Film Phenomena; Molecular Junctions and Nanostructures
Source: Web Of Science
Added: August 6, 2018

2010 journal article

First-principles analysis of electron-phonon interactions in graphene

Physical Review B, 81(12).

topics (OpenAlex): Graphene research and applications; Thermal properties of materials; Carbon Nanotubes in Composites
Sources: Web Of Science, Crossref
Added: August 6, 2018

2010 journal article

Influence of electron-electron scattering on transport characteristics in monolayer graphene

Applied Physics Letters, 97(8).

By: X. Li, E. Barry, J. Zavada, M. Nardelli & K. Kim

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Polarization effects and phase equilibria in high-energy-density polyvinylidene-fluoride-based polymers

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 66, 553–557.

topics (OpenAlex): Advanced Sensor and Energy Harvesting Materials; Dielectric materials and actuators; High voltage insulation and dielectric phenomena
TL;DR: The results show that the degree of copolymerization is a crucial parameter controlling the structural phase transition of polyvinylidene fluoride and its copolymers under an applied electric field. (via Semantic Scholar)
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7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2010 journal article

Rational computational design of optimal catalytic surfaces

APPLIED PHYSICS LETTERS, 97(23).

By: S. Paul n & M. Nardelli n

topics (OpenAlex): Catalytic Processes in Materials Science; Catalysts for Methane Reforming; Catalysis and Oxidation Reactions
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Substrate-Mediated Intermolecular Hybridization in Binary Phthalocyanine Superstructures

JOURNAL OF PHYSICAL CHEMISTRY C, 114(2), 1041–1045.

topics (OpenAlex): Surface Chemistry and Catalysis; Molecular Junctions and Nanostructures; Surface and Thin Film Phenomena
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Surface polar phonon dominated electron transport in graphene

Applied Physics Letters, 97(23), 232105.

topics (OpenAlex): Graphene research and applications; Carbon Nanotubes in Composites; Thermal properties of materials
Sources: Web Of Science, Crossref
Added: August 6, 2018

2010 journal article

Thermoelectric properties of graphene nanoribbons, junctions and superlattices

Journal of Physics: Condensed Matter, 22(37), 372202.

MeSH headings : Algorithms; Electric Conductivity; Electrons; Energy Transfer; Graphite / chemistry; Nanotechnology / instrumentation; Nanotubes, Carbon / chemistry; Surface Properties; Temperature; Thermal Conductivity
topics (OpenAlex): Graphene research and applications; Thermal properties of materials; Advanced Thermoelectric Materials and Devices
TL;DR: It is demonstrated that chevron-type GNRs recently synthesized should display superior thermoelectric properties and that increasing the number of interfaces in a single GNR system increases the peak ZT values that are thus maximized in a periodic superlattice. (via Semantic Scholar)
Sources: Web Of Science, Crossref
Added: August 6, 2018

2010 journal article

Ti-decorated C-60 as catalyst for hydrogen generation and storage

APPLIED PHYSICS LETTERS, 96(6).

By: L. Huang*, Y. Liu n, K. Gubbins n & M. Nardelli n

author keywords: ab initio calculations; adsorption; catalysts; chemisorption; density functional theory; dissociation; fullerenes; hydrogen; hydrogen storage; moisture; nanostructured materials; titanium; water
topics (OpenAlex): Hydrogen Storage and Materials; Ammonia Synthesis and Nitrogen Reduction; Hybrid Renewable Energy Systems
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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2009 chapter

Ab initio simulations of chemical reactions in nanostructured carbon materials

In V. A. Basiuk & P. Ugliengo (Eds.), Quantum chemical calculations of surfaces and interfaces of materials. Stevenson Ranch, Calif.: American Scientific Publishers,

By: E. Santiso, L. Huang, K. Gubbins, M. Kostov, A. George & M. Nardelli

Ed(s): . V. A. Basiuk & P. Ugliengo

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

First-principles analysis of lattice thermal conductivity in monolayer and bilayer graphene

Physical Review B, 80(3).

topics (OpenAlex): Thermal properties of materials; Graphene research and applications; Advanced Thermoelectric Materials and Devices
Sources: Web Of Science, Crossref
Added: August 6, 2018

2009 journal article

First-principles methodology for quantum transport in multiterminal junctions

The Journal of Chemical Physics, 131(16), 164105.

topics (OpenAlex): Molecular Junctions and Nanostructures; Quantum and electron transport phenomena; Graphene research and applications
TL;DR: A generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles is presented and charge density, potential profile, and transmission of electrons between any two terminals are described. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries, Crossref
Added: August 6, 2018

2009 journal article

Molecular design of photoactive acenes for organic photovoltaics

JOURNAL OF CHEMICAL PHYSICS, 130(19).

By: L. Huang*, D. Rocca*, S. Baroni*, K. Gubbins n & M. Nardelli n

author keywords: carrier mobility; density functional theory; infrared spectra; organic semiconductors; photovoltaic effects; ultraviolet spectra; visible spectra
topics (OpenAlex): Organic Electronics and Photovoltaics; Molecular Junctions and Nanostructures; Photochemistry and Electron Transfer Studies
TL;DR: This work has shown that absorption spectra of cofacially packed acenes have a better overlap with the solar spectrum, which allows harvesting more of the solar energy from red photons. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2009 journal article

Sequestration and selective oxidation of carbon monoxide on graphene edges

JOURNAL OF PHYSICS-CONDENSED MATTER, 21(35).

By: S. Paul n, E. Santiso n & M. Nardelli n

topics (OpenAlex): Catalytic Processes in Materials Science; Carbon Nanotubes in Composites; Graphene research and applications
TL;DR: This work considers the carbon-mediated partial sequestration and selective oxidation of carbon monoxide (CO), both in the presence and absence of hydrogen, and studies several reactions of CO with carbon nanostructures, where the active sites can be regenerated by the deposition of carbon decomposed from the reactant to make the reactions self-sustained. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2009 journal article

Simulation of the Electromechanical Behavior of Multiwall Carbon Nanotubes

ACS NANO, 3(10), 3266–3272.

author keywords: carbon nanotubes; mechanical deformation; electron transport; finite element; tight-binding
topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Boron and Carbon Nanomaterials Research
TL;DR: A computationally effective mixed finite element (FE)/tight-binding approach able to simulate the electromechanical behavior of CNT devices is presented and the role of the multiwall structure is demonstrated in providing robustness to conductivity in the event of imposed mechanical deformations. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2008 journal article

A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons

JOURNAL OF CHEMICAL PHYSICS, 128(3).

By: E. Santiso n, M. Nardelli n & K. Gubbins n

topics (OpenAlex): Advanced Chemical Physics Studies; Fullerene Chemistry and Applications; Zeolite Catalysis and Synthesis
TL;DR: D density functional theory calculations on the rotational isomerization of n-butane, 1-butene, and 1,3-butadiene show that the interactions with the carbon walls cause a dramatic change on the potential energy surface for pore sizes comparable to the molecular dimensions. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2008 journal article

Catalytic role of carbons in methane decomposition for CO- and CO(2)-free hydrogen generation

JOURNAL OF CHEMICAL PHYSICS, 128(21).

By: L. Huang n, E. Santiso n, M. Nardelli n & K. Gubbins n

topics (OpenAlex): Catalysts for Methane Reforming; Catalytic Processes in Materials Science; CO2 Reduction Techniques and Catalysts
TL;DR: Using first principles calculations at the density functional theory level, studies demonstrate that the defective carbons can be used as catalysts for methane decomposition, without the need for other catalysts, and the catalytic sites can be regenerated by the deposition of carbon decomposed from methane, to make the hydrogen production a continuous process. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2008 journal article

Effects of end group functionalization and level alignment on electron transport in molecular devices

Journal of Chemical Physics, 128(2).

By: G. Kim, S. Wang, W. Lu, M. Nardelli & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations

PHYSICAL REVIEW B, 77(24).

topics (OpenAlex): Physics of Superconductivity and Magnetism; Electronic and Structural Properties of Oxides; Magnetic and transport properties of perovskites and related materials
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2008 journal article

Interface phase and tuning of polarization in metal-ferroelectric junctions: A theoretical study

Applied Physics Letters, 92(25).

By: M. Nunez & M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Isomerization kinetics of small hydrocarbons in confinement

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 14(2-3), 181–188.

By: E. Santiso n, M. Nardelli n & K. Gubbins n

author keywords: chemical reactions; confinement; carbon; density functional theory; variational transition state theory
topics (OpenAlex): Zeolite Catalysis and Synthesis; Phase Equilibria and Thermodynamics; Advanced Chemical Physics Studies
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2008 journal article

Onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films

Physical Review Letters, 101(10).

By: M. Nunez & M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine-based devices

Nanotechnology, 18(42).

By: A. Calzolari, A. Ferretti & M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2007 article

Atomic scale design of nanostructures

MOLECULAR PHYSICS, Vol. 105, pp. 147–156.

topics (OpenAlex): Molecular Junctions and Nanostructures; Advanced Sensor and Energy Harvesting Materials; Mechanical and Optical Resonators
TL;DR: It is shown that key parts of the algorithms scale linearly with the number of atoms, making them ideal candidates for a petascale implementation, thereby not only dramatically enhancing ultrascale computing of the future, but also greatly reducing its power requirements. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 article

Confinement effects on chemical reactions - Toward an integrated rational catalyst design

Santiso, E. E., Kostov, M. K., George, A. M., Nardelli, M. B., & Gubbins, K. E. (2007, April 30). APPLIED SURFACE SCIENCE, Vol. 253, pp. 5570–5579.

By: E. Santiso n, M. Kostov n, A. George n, M. Nardelli n & K. Gubbins n

author keywords: confinement effects; catalyst design; chemical reactions; graphitic carbons
topics (OpenAlex): Advanced Chemical Physics Studies; Advanced Physical and Chemical Molecular Interactions; Zeolite Catalysis and Synthesis
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 journal article

Hexagon versus trimer formation in in nanowires on Si(111): Energetics and quantum conductance

Physical Review Letters, 98(2), 026105.

By: A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W. Schmidt, A. Calzolari, M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Phase Equilibria in High Energy Density PVDF-Based Polymers

Physical Review Letters, 99(4).

By: V. Ranjan n, L. Yu n, M. Nardelli n & J. Bernholc n

MeSH headings : Polymers / chemistry
topics (OpenAlex): Advanced Sensor and Energy Harvesting Materials; Dielectric materials and actuators; High voltage insulation and dielectric phenomena
TL;DR: In disordered P(VDF-CTFE), a distribution of concentrations leads to a range of polar transitions, resulting in ultrahigh energy density, which explains well experimental observations of very high-energy density. (via Semantic Scholar)
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (Web of Science; OpenAlex)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2006 journal article

Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde

JOURNAL OF CHEMICAL PHYSICS, 125(8).

By: E. Santiso n, A. George n, K. Gubbins n & M. Nardelli n

topics (OpenAlex): Catalysis and Oxidation Reactions; Carbon Nanotubes in Composites; Catalytic Processes in Materials Science
TL;DR: D density functional theory calculations on the unimolecular decomposition of formaldehyde within graphitic carbons show that the interactions with the carbon walls result in a lowering of the reaction barrier, and there is a shift of the equilibrium towards the formation of carbon monoxide and hydrogen at low temperatures. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 article

Tuning the Schottky barrier height in metal-alkaline earth oxide interfaces

Nunez, M., & Nardelli, M. B. (2006, July). PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Vol. 243, pp. 2081–2084.

topics (OpenAlex): Surface and Thin Film Phenomena; Semiconductor materials and devices; Electron and X-Ray Spectroscopy Techniques
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Source: Web Of Science
Added: August 6, 2018

2005 journal article

Band structure and quantum conductance of nanostructures from maximally localized wannier functions: The case of functionalized carbon nanotubes

Physical Review Letters, 95(7).

By: Y. Lee, M. Nardelli & N. Marzari

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

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

Nano Letters, 5(5), 847–851.

MeSH headings : Ammonia / analysis; Biosensing Techniques / instrumentation; Biosensing Techniques / methods; Borohydrides / analysis; Computer Simulation; Electrochemistry / instrumentation; Electrochemistry / methods; Feasibility Studies; Metals / chemistry; Models, Chemical; Nanotubes, Carbon / chemistry; Transducers
topics (OpenAlex): Carbon Nanotubes in Composites; Mechanical and Optical Resonators; Graphene research and applications
TL;DR: Ab initio calculations show that already the bare nanotube cluster system displays some specificity, which provides a "proof-of-principle" for the development of novel, high-specificity molecular sensors. (via Semantic Scholar)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2005 journal article

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

Physical Review. B, Condensed Matter and Materials Physics, 72(11).

By: S. Nakhmanson*, M. Nardelli n & J. Bernholc n

topics (OpenAlex): Advanced Sensor and Energy Harvesting Materials; Dielectric materials and actuators; Inorganic Fluorides and Related Compounds
Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

2005 journal article

Comment on "Mn interstitial diffusion in (Ga,Mn)As'' - Reply

Physical Review Letters, 94(13).

By: K. Edmonds, P. Boguslawski, K. Wang, R. Campion, S. Novikov, N. Farley, B. Gallagher, C. Foxon ...

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Dissociation of water on defective carbon substrates

PHYSICAL REVIEW LETTERS, 95(13).

By: M. Kostov n, E. Santiso n, A. George n, K. Gubbins n & M. Nardelli n

topics (OpenAlex): Graphene research and applications; Quantum and electron transport phenomena; Chemical and Physical Properties of Materials
TL;DR: Using calculations from first principles, it is found that water can dissociate over defective sites in graphene or nanotubes following many possible reaction pathways, some of which have activation barriers lower than half the value for the dissociation of bulk water. (via Semantic Scholar)
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6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2005 journal article

First principles theory of artificial metal chains on NiAl(110) surface

Physical Review. B, Condensed Matter and Materials Physics, 72(4).

By: A. Calzolari & M. Buongiorno Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

First-principles theory of correlated transport through nanojunctions

Physical Review Letters, 94(11).

By: A. Ferretti, A. Calzolari, R. Di Felice, F. Manghi, M. Caldas, M. Nardelli, E. Molinari

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Ab initio transport properties of nanostructures from maximally localized Wannier functions

Physical Review. B, Condensed Matter and Materials Physics, 69(3).

By: A. Calzolari, N. Marzari, I. Souza & M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Crystalline oxides on semiconductors: a future for the nanotransistor

Physica Status Solidi. B, Basic Solid State Physics, 241(10), 2279–2286.

By: M. Nardelli, F. Walker & R. McKee

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Electronic and transport properties of artificial gold chains

Physical Review Letters, 93(9), 096404.

By: A. Calzolari, C. Cavazzoni & M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Mixed finite element-tight-binding electromechanical analysis of carbon nanotubes

JOURNAL OF APPLIED PHYSICS, 96(11), 6756–6760.

By: A. Pantano*, D. Parks*, M. Boyce* & M. Nardelli n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Force Microscopy Techniques and Applications
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Mn Interstitial Diffusion in(Ga,Mn)As

Physical Review Letters, 92(3).

By: K. Edmonds*, P. Bogusławski n, K. Wang*, R. Campion*, S. Novikov, N. Farley*, B. Gallagher*, C. Foxon* ...

topics (OpenAlex): ZnO doping and properties; Copper-based nanomaterials and applications; Electronic and Structural Properties of Oxides
TL;DR: A combined theoretical and experimental study of the ferromagnetic semiconductor (Ga,Mn)As reveals that electric fields induced by Mn acceptors have a significant effect on the diffusion of Mn interstitials towards the surface. (via Semantic Scholar)
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UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, Crossref, NC State University Libraries
Added: August 6, 2018

2004 journal article

Understanding and enhancing polarization in complex materials

COMPUTING IN SCIENCE & ENGINEERING, 6(6), 12–21.

By: J. Bernholc n, S. Nakhmanson n, M. Nardelli n & V. Meunier*

topics (OpenAlex): Advanced Sensor and Energy Harvesting Materials; Acoustic Wave Resonator Technologies; Ferroelectric and Piezoelectric Materials
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2003 journal article

Fullerene coalescence in nanopeapods: A path to novel tubular carbon

NANO LETTERS, 3(8), 1037–1042.

By: E. Hernandez*, V. Meunier*, B. Smith*, R. Rurali*, H. Terrones*, M. Nardelli*, M. Terrones*, D. Luzzi*, J. Charlier*

topics (OpenAlex): Carbon Nanotubes in Composites; Fullerene Chemistry and Applications; Graphene research and applications
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Response to “Comment on ‘Intrinsic electron transport properties of carbon nanotube Y junctions’ ” [Appl. Phys. Lett. 83, 1674 (2003)]

Applied Physics Letters, 83(8), 1676–1677.

By: V. Meunier*, M. Nardelli n, J. Bernholc n, T. Zacharia* & J. Charlier*

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Force Microscopy Techniques and Applications
Sources: NC State University Libraries, Crossref, NC State University Libraries
Added: August 6, 2018

2003 journal article

Spontaneous polarization and piezoelectricity in boron nitride nanotubes

PHYSICAL REVIEW B, 67(23).

By: S. Nakhmanson n, A. Calzolari*, V. Meunier n, J. Bernholc n & M. Nardelli n

topics (OpenAlex): Boron and Carbon Nanomaterials Research; 2D Materials and Applications; MXene and MAX Phase Materials
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2003 journal article

The interface phase and the Schottky barrier for a crystalline dielectric on silicon

SCIENCE, 300(5626), 1726–1730.

By: R. McKee n, F. Walker n, M. Nardelli n, W. Shelton n & G. Stocks n

topics (OpenAlex): Semiconductor materials and interfaces; Semiconductor materials and devices; Silicon Nanostructures and Photoluminescence
TL;DR: This work shows with the structure specifics of heteroepitaxy that the electrostatic boundary conditions can be set in a distinct interface phase that acts as a “Coulomb buffer” that will functionalize the barrier-height concept itself. (via Semantic Scholar)
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Source: Web Of Science
Added: August 6, 2018

2002 journal article

Electronic and field emission properties of boron nitride/carbon nanotube superlattices

APPLIED PHYSICS LETTERS, 81(1), 46–48.

By: V. Meunier n, C. Roland n, J. Bernholc n & M. Nardelli n

topics (OpenAlex): Boron and Carbon Nanomaterials Research; Graphene research and applications; MXene and MAX Phase Materials
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2002 journal article

Intrinsic electron transport properties of carbon nanotube Y-junctions

APPLIED PHYSICS LETTERS, 81(27), 5234–5236.

By: V. Meunier*, M. Nardelli n, J. Bernholc n, T. Zacharia* & J. Charlier*

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Thermal properties of materials
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2002 review

Mechanical and electrical properties of nanotubes

[Review of ]. ANNUAL REVIEW OF MATERIALS RESEARCH, 32(2002), 347-+.

By: J. Bernholc n, D. Brenner n, M. Nardelli n, V. Meunier n & C. Roland n

author keywords: composites; deformation; STM images; STS spectra
topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Force Microscopy Techniques and Applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2002 journal article

Ultimate strength of carbon nanotubes: A theoretical study

PHYSICAL REVIEW B, 65(14).

By: Q. Zhao n, M. Nardelli n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Boron and Carbon Nanomaterials Research; Graphene research and applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2001 journal article

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

PHYSICAL REVIEW B, 64(24).

By: M. Nardelli n, J. Fattebert n & J. Bernholc n

topics (OpenAlex): Molecular Junctions and Nanostructures; Carbon Nanotubes in Composites; Graphene research and applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2001 journal article

Structural and electronic properties of carbon nanotube tapers

PHYSICAL REVIEW B, 64(19).

By: V. Meunier n, M. Nardelli n, C. Roland n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Force Microscopy Techniques and Applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Dynamic conductance of carbon nanotubes

PHYSICAL REVIEW LETTERS, 84(13), 2921–2924.

By: C. Roland n, M. Nardelli n, J. Wang* & H. Guo*

topics (OpenAlex): Carbon Nanotubes in Composites; Force Microscopy Techniques and Applications; Mechanical and Optical Resonators
TL;DR: The dynamic conductance of carbon nanotubes was investigated using the nonequilibrium Green's function formalism within the context of a tight-binding model and the important role of photon-assisted transport through nanot tubes is revealed and its implications for experiments discussed. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Large-scale applications of real-space multigrid methods to surfaces, nanotubes, and quantum transport

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 217(1), 685–701.

By: J. Bernholc n, E. Briggs n, C. Bungaro n, M. Nardelli n, J. Fattebert n, K. Rapcewicz n, C. Roland n, W. Schmidt n, Q. Zhao n

topics (OpenAlex): Silicon Carbide Semiconductor Technologies; Graphene research and applications; Advancements in Semiconductor Devices and Circuit Design
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Mechanical properties, defects and electronic behavior of carbon nanotubes

CARBON, 38(11-12), 1703–1711.

By: M. Nardelli n, J. Fattebert n, D. Orlikowski n, C. Roland n, Q. Zhao n & J. Bernholc n

author keywords: carbon nanotubes; mechanical properties, electronic properties
topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Boron and Carbon Nanomaterials Research
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

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

PHYSICAL REVIEW B, 61(20), 14194–14203.

By: D. Orlikowski n, M. Nardelli n, J. Bernholc n & C. Roland n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Nanopore and Nanochannel Transport Studies
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 article

Theoretical investigations of carbon nanotube growth

MOLECULAR SIMULATION, Vol. 25, pp. 1–12.

By: C. Roland n, J. Bernholc n, C. Brabec n, M. Nardelli n & A. Maiti*

author keywords: carbon nanotubes; large-scale molecular dynamics; kinetic Monte Carlo
topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Boron and Carbon Nanomaterials Research
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2000 journal article

Theoretical investigations of quantum transport through carbon nanotube devices

Surface Review and Letters, 7(5-6), 637–642.

By: C. Roland n, M. Nardelli, H. Guo, H. Mehrez, J. Taylor, J. Wang, Y. Wei

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Quantum-Dot Cellular Automata
Source: NC State University Libraries
Added: August 6, 2018

2000 journal article

Tunable resistance of a carbon nanotube-graphite interface

SCIENCE, 290(5497), 1742–1744.

By: S. Paulson*, A. Helser*, M. Nardelli n, R. Taylor*, M. Falvo*, R. Superfine*, S. Washburn*

MeSH headings : Carbon / chemistry; Chemical Phenomena; Chemistry, Physical; Electric Impedance; Electrochemistry; Electrons; Graphite / chemistry; Miniaturization; Rotation
topics (OpenAlex): Graphene research and applications; Carbon Nanotubes in Composites; Advancements in Battery Materials
TL;DR: By changing the angular alignment of the atomic lattices, it is found that contact resistance varied by more than an order of magnitude in a controlled and reproducible fashion, indicating that momentum conservation, in addition to energy conservation, can dictate the junction resistance in graphene systems such as carbon nanotube junctions and devices. (via Semantic Scholar)
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Ad-dimers on strained carbon nanotubes: A new route for quantum dot formation?

PHYSICAL REVIEW LETTERS, 83(20), 4132–4135.

By: D. Orlikowski n, M. Nardelli n, J. Bernholc n & C. Roland n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Boron and Carbon Nanomaterials Research
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1999 journal article

Electronic transport in extended systems: Application to carbon nanotubes

Physical Review. B, Condensed Matter and Materials Physics, 60(11), 7828–7833.

By: M. Nardelli

Source: NC State University Libraries
Added: August 6, 2018

1999 journal article

Mechanical deformations and coherent transport in carbon nanotubes

PHYSICAL REVIEW B, 60(24), R16338–R16341.

By: M. Nardelli n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Molecular Junctions and Nanostructures
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1998 journal article

Brittle and ductile behavior in carbon nanotubes

PHYSICAL REVIEW LETTERS, 81(21), 4656–4659.

By: M. Nardelli n, B. Yakobson n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Boron and Carbon Nanomaterials Research; Graphene research and applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1998 journal article

Lip-lip interactions and the growth of multiwalled carbon nanotubes

Physical Review Letters, 80(2), 313–316.

By: M. Nardelli n, C. Brabec n, A. Maiti, C. Roland n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Mechanical and Optical Resonators
Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

1998 journal article

Mechanism of strain release in carbon nanotubes

PHYSICAL REVIEW B, 57(8), R4277–R4280.

By: M. Nardelli n, B. Yakobson n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Fiber-reinforced polymer composites
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1998 journal article

Theoretical bounds for multiwalled carbon nanotube growth

CHEMICAL PHYSICS LETTERS, 296(5-6), 471–476.

By: M. Nardelli n, C. Roland n & J. Bernholc n

topics (OpenAlex): Carbon Nanotubes in Composites; Graphene research and applications; Force Microscopy Techniques and Applications
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1998 journal article

Theory of growth and mechanical properties of nanotubes

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 67(1), 39–46.

By: J. Bernholc n, C. Brabec n, M. Nardelli n, A. Maiti*, C. Roland n & B. Yakobson n

topics (OpenAlex): Nanotechnology research and applications; Boron and Carbon Nanomaterials Research; Carbon Nanotubes in Composites
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1997 journal article

Polarization field effects on the electron-hole recombination dynamics in In0.2Ga0.8N/In1-xGaxN multiple quantum wells

Applied Physics Letters, 71(21), 3135–3137.

By: M. Nardelli n, K. Rapcewicz n & J. Bernholc n

topics (OpenAlex): GaN-based semiconductor devices and materials; Semiconductor Quantum Structures and Devices; Semiconductor materials and devices
Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

1997 journal article

Real space multigrid methods for large scale electronic structure problems

International Journal of Quantum Chemistry, 65(5), 531–543.

By: J. Bernholc n, E. Briggs n, D. Sullivan n, C. Brabec n, M. Nardelli n, K. Rapcewicz n, C. Roland n, M. Wensell n

topics (OpenAlex): Advanced Chemical Physics Studies; Advanced Data Storage Technologies; Physics of Superconductivity and Magnetism
TL;DR: The development and applications of a new electronic structure method that uses a real-space grid as a basis and new compact discretization schemes in real space for systems with cubic, orthorhombic, and hexagonal symmetry are described. (via Semantic Scholar)
Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018

1997 journal article

Strain effects on the interface properties of nitride semiconductors

PHYSICAL REVIEW B, 55(12), R7323–R7326.

By: M. Nardelli n, K. Rapcewicz n & J. Bernholc n

topics (OpenAlex): GaN-based semiconductor devices and materials; Ga2O3 and related materials; Acoustic Wave Resonator Technologies
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

1997 article

Theory of interfaces and surfaces in wide-gap nitrides

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, Vol. 15, pp. 1144–1147.

By: M. Nardelli n, K. Rapcewicz n & J. Bernholc n

topics (OpenAlex): GaN-based semiconductor devices and materials; Metal and Thin Film Mechanics; Semiconductor materials and devices
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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