Field Emission Patterns from First-Principles Electronic Structures: Application to Pristine and Cesium-Doped Carbon Nanotubes

Khazaei, Mohammad; Farajian, Amir A.

doi:10.1103/physrevlett.95.177602

Cited by 49 publications

(44 citation statements)

References 30 publications

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“…Khazaei et al introduced a general approach to calculate the field emission properties of nanostructures. Pristine capped carbon nanotubes were studied, and the results agree well with experiments [69]. Furthermore, the authors demonstrated that the structures can be modified to have better field emission properties through doping Cs atoms to nanotubes [69].…”

Section: Design Of Novel Devicesmentioning

confidence: 79%

Exploring at nanoscale from first principles

Yuan

Luo

et al. 2009

Front. Phys. China

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Systems at the nanoscale can exhibit distinctive and unexpected properties in electrical, magnetic, mechanical, and chemical aspects. Understanding these properties not only is of importance from the fundamental scientific view but also offers great opportunities for future applications. Theoretical calculations can provide important information to interpret, modify, and predict the novel properties of objects at the nanoscale and therefore play a significant role in the process of exploring the nano world. In this review, six different areas are briefly presented, namely, prediction of new stable structures, modification of properties (especially the electronic structures), design of novel devices for applications, the structures and catalytic effects of clusters, the mechanical and transport properties of gold nanowires, and improvement of materials for hydrogen storage. Based on these examples, we show what can be done and what can be found in the investigations of nanoscale systems with participation of theoretical calculations.

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Section: Design Of Novel Devicesmentioning

confidence: 79%

Exploring at nanoscale from first principles

Yuan

Luo

et al. 2009

Front. Phys. China

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“…The diamond and graphite had film thicknesses of 1.075 nm and 1.579 nm, respectively. 8,14 Equation (1) is the Khazaei's equation. 2.…”

Section: Ab Initio Dft Calculationmentioning

confidence: 99%

On the mechanism of improvement of field emission properties of carbon-coated field emitters

Higuchi

Sasaki

Horie

et al. 2014

Journal of Vacuum Science &Amp; Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phen

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To clarify the origin of the superior field emission characteristics of carbon-coated emitters, the authors investigated the field enhancement and the work function of model systems calculated by numerical simulations. They propose that the field enhancement is due to the triple junctions, which are distributed on the surface of the carbon film consisting of sp3 (diamond-like) insulating and sp2 (graphite-like) conducting nanometer-sized grains. The electric field around the triple junction is one order of magnitude higher than at other places. Based on ab initio density functional theory calculations, the authors found that (1) the work functions of diamond and graphite dramatically decrease down to 3–3.6 eV upon hydrogen termination, and (2) the effective work functions of these models decrease to 2–2.5 eV by applying an external electric field of 2.57 × 107 V/cm. They also estimated the field emission current from the potential distribution and the local density of states under the external electric field applied. As a result, the authors found that hydrogen termination significantly increases the field emission current. The results suggest that the triple junction and hydrogen termination are promising candidates as the mechanism of improving the emission of the carbon-coated emitters.

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“…In order to further understand the field emission properties of B-doped CNTs, the tunneling probabilities have been calculated using the method presented by Khazaei et al [41]. Fig.…”

Section: Tunneling Probabilitymentioning

confidence: 99%