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We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene expand upon electron injection. (2) Upon hole injection,…

Materials Science · Physics 2009-11-07 M. Verissimo-Alves , Belita Koiller , H. Chacham , R. B. Capaz

High performance nanocomposites require well dispersion and high alignment of the nanometer-sized components, at a high mass or volume fraction as well. However, the road towards such composite structure is severely hindered due to the easy…

Materials Science · Physics 2015-06-24 Yue Han , Xiaohua Zhang , Xueping Yu , Jingna Zhao , Shan Li , Feng Liu , Peng Gao , Yongyi Zhang , Tong Zhao , Qingwen Li

Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…

Materials Science · Physics 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

Some of the most promising candidates for next generation thermoelectrics are nanocomposites due to their low thermal conductivities that result from phonon scattering on the boundaries of the various material phases. However, in order to…

Materials Science · Physics 2019-03-04 Samuel Foster , Mischa Thesberg , Neophytos Neophytou

In recent years, the immiscible polymer blend system has attracted much attention as the matrix of nanocomposites. Herein, from the perspective of dynamics, the control of the carbon nanotubes (CNTs) migration aided with the interface of…

Applied Physics · Physics 2021-05-07 Liping Zhou , Yu Tian , Peng Xu , Huijie Wei , Yuhan Li , Hua-Xin Peng , Faxiang Qin

Cross-plane superlattices composed of nanoscale layers of alternating potential wells and barriers have attracted great attention for their potential to provide thermoelectric power factor improvements and higher ZT figure of merit.…

Materials Science · Physics 2015-12-16 Mischa Thesberg , Mahdi Pourfath , Hans Kosina , Neophytos Neophytou

Carbon nanotubes (CNTs) are a promising material for high-performance electronics beyond silicon. But unlike silicon, the nature of the transport band gap in CNTs is not fully understood. The transport gap in CNTs is predicted to be…

High-performance solution-processed short-channel carbon nanotube (CNT) thin film transistors (TFTs) are fabricated using densely aligned arrays of metallic CNTs (m-CNTs) as source and drain electrodes, and aligned arrays of semiconducting…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Biddut K. Sarker , Narae Kang , Saiful I. Khondaker

Transparent and conductive films (TCFs) are of great technological importance. The high transmittance, electrical conductivity and mechanical strength make single-walled carbon nanotubes (SWCNTs) a good candidate for their raw material.…

Using Monte Carlo electronic transport simulations, coupled self-consistently with the Poisson equation for electrostatics, we explore the thermoelectric power factor of nanoengineered materials. These materials consist of alternating…

Materials Science · Physics 2024-07-18 Pankaj Priyadarshi , Vassilios Vargiamidis , Neophytos Neophytou

Carbon nanotube (CNT) wires approach copper's specific conductivity and surpass carbon fiber's strength, with further improvement anticipated with greater aspect ratios and incorporation of dopants with long-range structural order.…

We investigate the effect of electrostatic gating on the thermoelectric power factor of p-type Si nanowires (NWs) of up to 20nm in diameter in the [100], [110] and [111] crystallographic transport orientations. We use atomistic…

Materials Science · Physics 2015-06-23 Neophytos Neophytou , Hans Kosina

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

Mesoscale and Nanoscale Physics · Physics 2011-04-11 Neophytos Neophytou , Hans Kosina

For a capacitor made of a semiconducting carbon nanotube (CNT) suspended above a metallic gate, Coulomb correlations between individual electrons can lead to a capacitance that is much larger than the geometric capacitance. We argue that…

Strongly Correlated Electrons · Physics 2015-04-22 Han Fu , B. I. Shklovskii , Brian Skinner

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials (such as Bi2Te3 and PbTe) at high temperatures due to the introduction of an additional term to the thermal conductivity and a…

Materials Science · Physics 2019-04-12 Samuel Foster , Neophytos Neophytou

In this work we study the reinforcement of polymers by mechanically interlocked derivatives of single-walled carbon nanotubes (SWNTs). We compare the mechanical properties of fibers made of polymers and of composites with pristine…

Short fiber reinforced polymer composites have found extensive industrial and engineering applications owing to their unique combination of low cost, relatively easy processing and superior mechanical properties compared to their parent…

Computational Physics · Physics 2017-04-06 Atiyeh Alsadat Mousavi , Behrouz Arash , Xiaoying Zhuang , Timon Rabczuk

The influence of carbon multi-walled nanotubes (MWCNTs) and halloysite nanotubes (HNTs) on the physical, thermal, mechanical, and electrical properties of EVA (ethylene vinyl acetate) copolymer was investigated. EVA-based nanocomposites…

We show that a single quantum emitter can efficiently couple to the tunable plasmons of a highly doped single-wall carbon nanotube (SWCNT). Plasmons in these quasi-one-dimensional carbon structures exhibit deep subwavelength confinement…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Luis Martin-Moreno , F. Javier Garcia de Abajo , Francisco J. Garcia-Vidal

Carbon nanotubes (CNTs) are stiff, all-carbon macromolecules with diameters as small as one nanometer and few microns long. Solutions of CNTs in chlorosulfonic acid (CSA) follow the phase behavior of rigid rod polymers interacting via a…