Electronic band structure of β-ZrNCl-based nanotubes

Enyashin, Andrey N.; Makurin, Yu. N.; Ivanovskiĭ, A. L.

doi:10.1016/j.cplett.2004.01.074

Cited by 6 publications

(2 citation statements)

References 29 publications

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“…In another study, the same group carried out ab initio calculations for beta-zirconium nitrochloride (␤-ZrNCl) nanotubes. 72 The bulk 2D compound is a semiconductor (E g ‫ס‬ 1.6 eV), which upon alkali metal intercalation becomes a superconductor with T c ‫ס‬ 14 K. In analogy to many other semiconducting nanotubes, the band gap of the armchair nanotubes shrinks with a decrease in their diameter. The effect of partial chlorine deintercalation on the electronic properties of ␤-ZrNCl 1−x -based nanotubes is also discussed.…”

Section: A Band-structure Calculationsmentioning

confidence: 99%

Inorganic nanotubes and fullerene-like nanoparticles

Tenne

2006

J. Mater. Res.

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We have proposed in 1992 that nanoparticles of layered compounds will be unstable against folding and close into fullerene-like structures and nanotubes (IF). Nanotubes and fullerene-like structures were prepared from numerous compounds with layered and recently also non-layered structure by various groups. Much progress has been achieved in the synthesis of inorganic nanotubes and fullerene-like nanoparticles of WS 2 and MoS 2 and many other metal dichalcogenides over the last few years. Substantial progress has been accomplished in the use of such nanoparticles for tribological applications and lately for impact resilient nanocomposites. These tests indicated that IF-MoS 2 and IF-WS 2 are heading for large scale applications in the automotive, machining, aerospace, electronics, defense, medical and numerous other kinds of industries. A few products based on these nanoparticles have been recently commercialized by "ApNano Materials, Inc". Novel applications of inorganic nanotubes and fullerene-like nanoparticles in the fields of catalysis; microelectronics; Li rechargeable batteries; medical and opto-electronics will be discussed.

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Section: A Band-structure Calculationsmentioning

confidence: 99%

Inorganic nanotubes and fullerene-like nanoparticles

Tenne

2006

J. Mater. Res.

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“…More recent investigations also show direct and indirect band gaps for b-HfNCl (3.7 and 3.4 eV) [116]. Furthermore, an additional point of view was introduced by Enyashin et al [117], when they calculated the electronic band structure of hypothetic b-ZrNCl-based nanotubes in two different models: metallic-like zigzag tubes and semiconducting armchair tubes. The band gap of the latter does increase with increasing tube diameter, while the zigzag tubes turn out to be metallic.…”

Section: Properties and Electronic Structures Of The Prototypic Compomentioning

confidence: 99%

Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

Schurz

Shlyk

Schleid

et al. 2011

Zeitschrift Für Kristallographie

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Abstract. Two different polymorphs of the metal nitride halides MNX (M ¼ Ti, Zr, Hf; X ¼ Cl, Br, I) are known to crystallize in layered structures. The two crystal structures differ in the way 2 1 {X[M 2 N 2 ]X} slabs are stacked along the c-axes. Metal atoms and/or organic molecules can be intercalated into the van-der-Waals gap between these layers. After such an electron-doping via intercalation the prototypic band insulators change into superconductors with moderate high critical temperatures T c up to 25.5 K. This review gathers information on synthesis routes, structural characteristics and properties of the prototypic nitride halides and the derivatives after electron-doping with a focus on superconductivity.

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Prediction of atomic structure and electronic properties of Ti3SiC2 based nanotubes by DFTB theory

Enyashin

Ivanovskiĭ

2008

Materials Letters

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Electronic band structure of β-ZrNCl-based nanotubes

Cited by 6 publications

References 29 publications

Inorganic nanotubes and fullerene-like nanoparticles

Inorganic nanotubes and fullerene-like nanoparticles

Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

Prediction of atomic structure and electronic properties of Ti3SiC2 based nanotubes by DFTB theory

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