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The configurations, stability and electronic structures of a new class of boron sheet and related boron nanotubes are predicted within the framework of density functional theory. This boron sheet is sparser than those of recent proposals.…

Materials Science · Physics 2011-04-28 Jing Wang , Ying Liu , You-Cheng Li

Atomic models of zigzag (n, 0)- and armchair (n,n)-like NiCl2 nanotubes (n = 4 - 29) formed by rolling (100) single layers of the bulk NiCl2 which crystallizes in the CdCl2-type structure, are constructed and their electronic properties and…

Materials Science · Physics 2007-05-23 V. V. Ivanovskaya , A. N. Enyashin , N. I. Medvedeva , A. L. Ivanovskii

We have developed an effective model to investigate the energetic stability of hydrogenated group-IV nanostructures, followed by validations from first-principles calculations. It is found that the Hamiltonian of X$_{m}$H$_{n}$ (X=C, Si, Ge…

Materials Science · Physics 2010-10-04 Xiaobao Yang , Hu Xu , Yu-Jun Zhao , Boris I. Yakobson

A simple process for chemical vapor deposition of ultra SD single wall carbon nanotubes has been developed. In this process, an iron nitrate nonahydrate solution in isopropyl alcohol with a concentration of 400 ug/mlit was used to catalyze…

Mesoscale and Nanoscale Physics · Physics 2012-07-17 Nima Arjmandi , Pejhman Sasanpour , Bijan Rashidian

An optimized interatomic potential has been constructed for silicon using a modified Tersoff model. The potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and…

Materials Science · Physics 2017-06-21 G. P. Purja Pun , Y. Mishin

Single-walled carbon nanotubes are hollow cylinders, that can grow centimeters long by carbon incorporation at the interface with a catalyst. They display semi-conducting or metallic characteristics, depending on their helicity, that is…

Materials Science · Physics 2018-11-14 Yann Magnin , Hakim Amara , François Ducastelle , Annick Loiseau , Christophe Bichara

We report the growth of Si nanostructures, either as thin films or nanoparticles, on graphene substrates. The Si nanostructures are shown to be single crystalline, air stable and oxidation resistive, as indicated by the observation of a…

Materials Science · Physics 2020-06-02 Naili Yue , Joshua Myers , Liqin Su , Wentao Wang , Fude Liu , Raphael Tsu , Yan Zhuang , Yong Zhang

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

The epitaxial growth of germanium on silicon leads to the self-assembly of SiGe nanocrystals via a process that allows the size, composition and position of the nanocrystals to be controlled. This level of control, combined with an inherent…

Mesoscale and Nanoscale Physics · Physics 2010-05-12 G. Katsaros , P. Spathis , M. Stoffel , F. Fournel , M. Mongillo , V. Bouchiat , F. Lefloch , A. Rastelli , O. G. Schmidt , S. De Franceschi

We use ab initio density functional calculations to study the chemical functionalization of single-wall carbon nanotubes and graphene monolayers by silyl (SiH3) radicals and hydrogen. We find that silyl radicals form strong covalent bonds…

Materials Science · Physics 2009-11-13 Kiseok Chang , Savas Berber , David Tomanek

We describe a method to fabricate clean suspended single-wall carbon nanotube (SWCNT) transistors hosting a single quantum dot ranging in length from a few 10s of nm down to $\approx$ 3 nm. We first align narrow gold bow-tie junctions on…

Mesoscale and Nanoscale Physics · Physics 2012-08-15 J. O. Island , V. Tayari , S. Yigen , A. C. McRae , A. R. Champagne

The excellent properties of transistors, wires, and sensors made from single-walled carbon nanotubes (SWNTs) make them promising candidates for use in advanced nanoelectronic systems. Gas-phase growth procedures such as the high pressure…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Danvers E. Johnston , Mohammad F. Islam , Arjun G. Yodh , Alan T. Johnson

We report on coupling between semiconducting single-wall carbon nanotubes (s-SWNT) photoluminescence and silicon microring resonators. Polyfluorene extracted s-SWNT deposited on such resonators exhibit sharp emission peaks, due to…

Optics · Physics 2015-08-06 Adrien Noury , Xavier Le Roux , Laurent Vivien , Nicolas Izard

We study the binding energy, intertube distance and electronic structure of bundles consisting of single walled carbon nanotubes of the same chirality. We model various nanotube structures (chiralities) and orientations with van der Waals…

Materials Science · Physics 2012-07-20 Heiko Dumlich , Stephanie Reich

Silicon carbide (SiC) is an important semiconductor material for fabricating power electronic devices that exhibit higher switch frequency, lower energy loss and substantial reduction both in size and weight in comparison with its Si-based…

Materials Science · Physics 2023-04-19 Guobin Wang , Da Sheng , Yunfan Yang , Hui Li , Congcong Chai , Zhenkai Xie , Wenjun Wang , Jian-gang Guo , Xiaolong Chen

Carbyne, a one-dimensional (1D) carbon allotrope with alternating triple and single bonds, has the highest known mechanical strength but is unstable to bending, limiting synthesis to short linear chains. Encapsulation within carbon…

Phononic silicon structures have emerged as an integrable and scalable nanosystem for tailoring thermal transport. However, their widespread adoption has been limited by their complex fabrication pathways. Alongside, the reliable…

We demonstrate a fully tunable diode structure utilizing a fully suspended single-walled carbon nanotube (SWNT). The diode's turn-on voltage under forward bias can be continuously tuned up to 4.3 V by controlling gate voltages, which is ~6…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Chang-Hua Liu , Chung-Chiang Wu , Zhaohui Zhong

We here investigated the thermal and mechanical behaviors of three-dimensional beta zeolite-templated carbon nanotube networks (BZCN). These networks are topologically generated by inserting carbon nanotubes (CNTs) into zeolite channels and…

Materials Science · Physics 2020-05-08 Eliezer F. Oliveira , Leonardo D. Machado , Ray H. Baughman , Douglas S. Galvao

We use an atom-atom potential between carbon atoms to obtain an interaction potential between nanotubes (assumed rigid), thereby calculating the cohesive energy of a bunch of nanotubes in hexagonal two dimensional packing. The model…

Materials Science · Physics 2007-05-23 V. K. Jindal , Shuchi Gupta , K. Dharamvir