Current-voltage characteristics of carbon nanotubes with substitutional nitrogen

Kaun, Chao-Cheng; Larade, Brian; Mehrez, H.; Taylor, Jeremy; Guo, Hong

doi:10.1103/physrevb.65.205416

Cited by 100 publications

(55 citation statements)

References 34 publications

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“…For a semiconducting congener, the nitrogen state lies 150-200 meV below the conduction band [75]. However, electron backscattering can complicate this simple description in some cases [86,90].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Yeung

Chen

Wang

2010

Journal of Nanotechnology

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The rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall is replaced by a heteroatom. These so-called heteroatom-substituted SWCNTs (HSWCNTs) exhibit unique chemical and physical properties not observed in their corresponding undoped congeners. Herein, we present theoretical studies of both main group element and transition metal-doped HSWCNTs. Within density functional theory (DFT), we discuss mechanistic details of their proposed synthesis from vacancy-defected SWCNTs and describe their geometric and electronic properties. Additionally, we propose applications for these nanomaterials in nanosensing, nanoelectronics, and nanocatalysis.

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Section: Introductionmentioning

confidence: 99%

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Yeung

Chen

Wang

2010

Journal of Nanotechnology

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“…Substitutional doping by N or B impurities on carbon nanotubes has been a very intense research topic at the experimental and theoretical level during the recent years [21][22][23][24]. Initial works have focused on the effect of a single defect on the electronic and transport properties, while further studies have addressed the issue of mesoscopic transport in nanotubes with random distributions of impurities.…”

Section: Introductionmentioning

confidence: 99%

Influence of S and P Doping in a Graphene Sheet

García‐García¹,

Baltazar²,

Castro³

et al. 2008

Jnl of Comp & Theo Nano

116

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In this work, we study the electronic and chemical properties of a graphene sheet doped with S or P, by means of ab initio calculations. We consider one, two and three impurity atoms by substitution on the graphene and obtain doping formation energies of 5.78, 7.43 and 10.53 eV for sulphur impurities and 2.73, 0.54 and 1.82 eV for phosphorous impurities. We find that doping induces a large local curvature that tends to increase the system local reactivity. We characterize the electronic structure by the electronic density of states, the electron localization function and the maximally localized Wannier functions. Some potential applications are highlighted. INTRODUCTION.

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“…These findings are consistent with previous literature reports. 21,39,40 The band structure of TTF@CNT is consistent with n-type doping of the CNT, the flat dopant band meets the conduction band of the CNT close to the Fermi level.…”

Section: Elementmentioning

confidence: 69%

“…The electronic properties of intrinsically metallic CNTs degrade on incorportation of substitutional dopants, 21,22 and in addition, it is difficult to precisely control the doping levels within the CNT giving rise to dopant atom fluctuations 23 which impact on achieving reproducible electronic properties. As CNTs are hollow, it is also possible to incorporate dopants within the interior of the CNT, i.e., endohedral doping.…”

Section: Formation Of Contacts Between Doped Carbon Nanotubes and Alumentioning

confidence: 99%

Formation of contacts between doped carbon nanotubes and aluminum electrodes

Jones¹,

Greer²

2013

Journal of Applied Physics

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A theoretical study of the a semiconducting carbon nanotube (CNT) bonding to an aluminum electrode is presented using density functional theory to determine the electronic structure, and charge transport across the junction is studied using non-equilibrium Green's functions. The properties of CNT-metal junctions are of interest for optimizing metal-semiconductor junctions for Schottky barrier transistors and for the formation of Ohmic contacts for nanoelectronics. We first consider the properties of an undoped (16,0) CNT bonded to an aluminum electrode, including an analysis of metal induced gap states and examination of the surface dipole. The junction is then modified by introduction of substitutional dopants into the CNT using nitrogen and boron to form n- and p-type semiconductors, respectively, and the resulting impact of the doping on current transport across the junctions is calculated. As an alternative doping strategy, tetrathiafulvalene is introduced endohedrally and found to act as an n-type dopant in agreement with previous experimental studies. From electron transmission and current voltage characteristics, it is found that the doped junctions can be engineered to have much lower onset resistances relative to the undoped junction. It is found that the current-voltage characteristics display increased resistance for larger forward and reverse biases: For one polarity, the resistance increase is associated with the introduction of the CNT band gap into the voltage bias window, whereas for the opposing voltage polarity, the resistance increase is due to large charge carrier-substitutional dopant scattering. For the case of the endohedral doping scheme, it is found that the carrier-dopant scattering is effectively absent. (C) 2013 AIP Publishing LLC

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Current-voltage characteristics of carbon nanotubes with substitutional nitrogen

Cited by 100 publications

References 34 publications

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Influence of S and P Doping in a Graphene Sheet

Formation of contacts between doped carbon nanotubes and aluminum electrodes

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