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The interaction strength of molecular hydrogen and water to carbon nanomaterials is relevant to, among many applications, hydrogen storage, water treatment, and water flow. However, accurate interaction energies for hydrogen and water with…

Materials Science · Physics 2017-04-05 Yasmine S. Al-Hamdani , Dario Alfè , Angelos Michaelides

Single ion detection has, for many years, been the domain of large devices such as the Geiger counter, and studies on interactions of ionized gasses with materials have been limited to large systems. To date, there have been no reports on…

Mesoscale and Nanoscale Physics · Physics 2015-07-14 Adam W. Bushmaker , Vanessa Oklejas , Don Walker , Alan R. Hopkins , Jihan Chen , Stephen B. Cronin

We have measured the differential conductance of a parallel carbon nanotube (CNT) double quantum dot (DQD) with strong inter-dot capacitance and inter-dot tunnel coupling. Nominally, the device consists of a single CNT with two contacts.…

Mesoscale and Nanoscale Physics · Physics 2017-11-10 Gulibusitan Abulizi , Andreas Baumgartner , Christian Schönenberger

Carbon nanotubes (CNT) have been recently proposed as stabilizers against grain growth that can happen even at low temperature inputs in nano-crystalline and ultrafine-grained materials obtained by severe plastic deformation. In this study,…

We report the stability and electronic structures of the boron nitride nanotubes (BNNTs) with diameters below 4 A by semi-empirical quantum mechanical molecular dynamics simulations and ab initio calculations. Among them (3,0), (3,1),…

Materials Science · Physics 2009-12-07 Zhuhua Zhang , Wanlin Guo , Yitao Dai

The adsorption of metal atoms on nanostructures, such as graphene and nanotubes, plays an important role in catalysis, electronic doping, and tuning material properties. Quantum chemical calculations permit the investigation of this process…

Mesoscale and Nanoscale Physics · Physics 2020-02-18 Christoph Rohmann , Maicol A. Ochoa , Michael Zwolak

Carbon nanotubes (CNTs) are well known for their exceptional thermal, mechanical and electrical properties. For many CNT applications it is of the foremost importance to know their frictional properties. However, very little is known about…

Materials Science · Physics 2015-07-20 Marcel Lucas , Xiaohua Zhang , Ismael Palaci , Christian Klinke , Erio Tosatti , Elisa Riedo

A recent study [Rosati, Dolcini, and Rossi, Appl. Phys. Lett. 106, 243101 (2015)] has predicted that, while in semiconducting single-walled carbon nanotubes (SWNTs) an electronic wave packet experiences the typical spatial diffusion of…

Mesoscale and Nanoscale Physics · Physics 2015-12-25 R. Rosati , F. Dolcini , F. Rossi

The low energy spectrum of finite size metallic single-walled carbon nanotubes SWNTs) is determined. Starting from a tight binding model for the $p_{z}$ electrons, we derive the low energy Hamiltonian containing all relevant scattering…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Leonhard Mayrhofer , Milena Grifoni

We present a mechanism to improve the conductivity of carbon nanotube (CNT) networks by improving the conductance between CNTs of different chirality. We argue generally that a weak perturbation can greatly improve the inter-tube…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Robert A. Bell , Michael C. Payne , Arash A. Mostofi

Using a tight-binding model and some well-known approaches and methods based on Green's function theory and Landauer formalism, we numerically investigate the conductance properties and I-V characteristics of zigzag single-walled BCN alloy…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 H Milani Moghaddam

Three-terminal devices with conduction channels formed by quasi-metallic carbon nanotubes (CNT) are shown to operate as nanotube-based field-effect transistors under strong magnetic fields. The off-state conductance of the devices varies…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Georgy Fedorov , Alexander Tselev , David Jimenez , Sylvain Latil , Nikolay G. Kalugin , Paola Barbara , Dmitry Smirnov , Stephane Roche

We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Alain Rochefort , Phaedon Avouris

The relaxation of twist in elastic filaments often drives conformational changes. We explore this paradigm using all-atom computations and report the formation of novel supercoiled shapes in individual carbon nanotubes (CNTs). Decreasing…

Mesoscale and Nanoscale Physics · Physics 2014-10-28 Alireza Shahabi , Moneesh Upmanyu

Vertically aligned carbon nanotube (CNT) forests are a particularly interesting class of nanomaterials, because they combine multifunctional properties, such as high energy absorption, compressive strength, recoverability and…

Vibration reduction is of great importance in various engineering applications, and a material that exhibits good vibration damping along with high strength and modulus has become more and more vital. Owing to the superior mechanical…

Materials Science · Physics 2017-11-07 Jingna Zhao , Fulin Wang , Xin Zhang , Linjie Liang , Xueqin Yang , Qingwen Li , Xiaohua Zhang

The interaction between edge dislocations and carbon nanotubes (CNTs) embedded into an Al matrix is investigated. Both pristine and Ni-coated CNTs are considered. It is demonstrated that the embedded CNTs lead to a flow stress contribution…

Materials Science · Physics 2021-08-27 Samaneh Nasiri , Michael Zaiser

Carbon nanotubes are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge. Defects are known to modify the electrical resistance of carbon nanotubes. They can be present in as-grown…

Materials Science · Physics 2007-05-23 C. Gomez-Navarro , P. J. De Pablo , J. Gomez-Herrero , B. Biel , F. J. Garcia-Vidal , A. Rubio , F. Flores

We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…

Mesoscale and Nanoscale Physics · Physics 2014-12-30 Valeri V. Smirnov , Leonid I. Manevitch , Matteo Strozzi , Francesco Pelicano

In this dissertation, thermal and electrical properties of aligned multiwall carbon nanotubes (MWNTs) prepared by thermal decomposition of hydrocarbons have been experimentally studied. The thesis consists of six chapters. Ch1 is an…

Mesoscale and Nanoscale Physics · Physics 2012-04-19 Wei Yi