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We present ab initio calculations on the band structure and density of states of single wall semiconducting carbon nanotubes with high degrees (up to 25%) of B, Si and N substitution. The doping process consists of two phases: different…

Mesoscale and Nanoscale Physics · Physics 2015-01-13 E. Tetik

Electronic degrees of freedom and their coupling to lattice vibrations in semiconductors can be strongly modified by doping. Accordingly, the addition of surplus charge carriers to chirality-mixed carbon nanotube samples has previously been…

Chemical Physics · Physics 2021-01-18 Klaus H. Eckstein , Florian Hirsch , Richard Martel , Tobias Hertel

Carbon nanotubes are one-dimensional and very narrow. These obvious facts imply that under doping with boron and nitrogen, microscopic doping inhomogeneity is much more important than for bulk semiconductors. We consider the possibility of…

Materials Science · Physics 2009-11-07 Paul E. Lammert , Vincent H. Crespi , Angel Rubio

Doping is a fundamental property of semiconductors and constitutes the basis of modern microelectronic and optoelectronic devices. Their miniaturization requires contactless characterization of doping with nanometer scale resolution. Here,…

Semiconducting single-walled carbon nanotubes (SWCNTs) are a promising thermoelectric material with high power factors after chemical p- or n-doping. Understanding the impact of dopant counterions on charge transport and thermoelectric…

Controlled doping and understanding its underlying microscopic mechanisms is crucial for advancement of nanoscale electronic technologies, especially in semiconducting single-wall carbon nanotubes (s-SWNTs), where adsorbed counterions are…

Materials Science · Physics 2023-09-06 Klaus H. Eckstein , Tobias Hertel

The conductivity of carbon nanotube (CNT) networks can be improved markedly by doping with nitric acid. In the present work, CNTs and junctions of CNTs functionalized with NO$_3$ molecules are investigated to understand the microscopic…

Applied Physics · Physics 2018-03-21 T. Ketolainen , V. Havu , E. Ö. Jónsson , M. J. Puska

Doping of semiconductors is essential in modern electronic and photonic devices. While doping is well understood in bulk semiconductors, the advent of carbon nanotubes and nanowires for nanoelectronic and nanophotonic applications raises…

Materials Science · Physics 2015-05-18 Catalin D. Spataru , François Léonard

We use computational screening to systematically investigate the use of transition metal doped carbon nanotubes for chemical gas sensing. For a set of relevant target molecules (CO, NH3, H2S) and the main components of air (N2, O2, H2O), we…

Mesoscale and Nanoscale Physics · Physics 2010-06-28 J. M. García-Lastra , D. J. Mowbray , K. S. Thygesen , A. Rubio , K. W. Jacobsen

In-situ Raman experiments together with transport measurements have been carried out on carbon nanotubes as a function of gate voltage. In metallic tubes, a large increase in the Raman frequency of the $G^-$ band, accompanied by a…

Mesoscale and Nanoscale Physics · Physics 2009-09-29 Anindya Das , A. K. Sood , A. Govindaraj , A. Marco Saitta , Michele Lazzeri , Francesco Mauri , C. N. R Rao

Doping of semiconductor is necessary for various device applications. Exploiting chemistry at its reactive edges was shown to be an effective way to dope an atomically thin graphene nanoribbon (GNR) for realizing new devices in recent…

Mesoscale and Nanoscale Physics · Physics 2011-07-26 Yijian Ouyang , Stefano Sanvito , Jing Guo

Short channel (~80 nm) n-type single-walled carbon nanotube (SWNT) field-effect transistors (FETs) with potassium (K) doped source and drain regions and high-k gate dielectrics (ALD HfO2) are obtained. For nanotubes with diameter ~ 1.6 nm…

Materials Science · Physics 2015-06-24 Ali Javey , Ryan Tu , Damon Farmer , Jing Guo , Roy Gordon , Hongjie Dai

We study the effect of doping in the suppression of tunneling observed in multi-walled nanotubes, incorporating as well the influence of the finite dimensions of the system. A scaling approach allows us to encompass the different values of…

Strongly Correlated Electrons · Physics 2009-11-10 S. Bellucci , J. Gonzalez , P. Onorato

In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…

Materials Science · Physics 2024-08-07 Mina Yoon , German D. Samolyuk , Kai Li , James A. Hayne , Tolga Aytug

Single-walled carbon nanotubes (SWNTs) are typically long (>100 nm) and have been well established as novel quasi one-dimensional systems with interesting electrical, mechanical, and optical properties. Here, quasi zero-dimensional SWNTs…

Materials Science · Physics 2008-04-30 Xiaoming Sun , Sasa Zaric , Dan Daranciang , Kevin Welsher , Yuerui Lu , Xiaolin Li , Hongjie Dai

Networks of semiconducting single-walled carbon nanotubes (SWNTs) are a promising material for thermoelectric energy harvesting due to their mechanical flexibility, solution processability, high Seebeck coefficients and high electrical…

We investigate the field emission properties of nitrogenated and boronated carbon nanotubes using time-dependent density functional theory, were the wave function propagation is performed using the Crank-Nicholson algorithm. We extract the…

Materials Science · Physics 2015-05-20 Sherif Tawfik , Salah Sheikh , Noha Salem

Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but…

To be practical, semiconductors need to be doped. Sometimes, to nearly degenerate levels, e.g. in applications such as thermoelectric, transparent electronics or power electronics. However, many materials with finite band gaps are not…

While space-charge-limited current measurements are often used to characterize charge-transport in relatively intrinsic, low-mobility semiconductors, it is currently difficult to characterize lightly or heavily doped semiconductors with…

Applied Physics · Physics 2020-12-02 Jason A. Röhr , Roderick C. I. MacKenzie
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