Computer simulation of AgI nanostructures in single-wall carbon nanotubes

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Computer simulation of AgI nanostructures in single-wall carbon nanotubes. / Gotlib, I. Yu; Ivanov-Shitz, A. K.; Murin, I. V.; Petrov, A. V.; Zakalyukin, R. M.

In: Inorganic Materials, Vol. 46, No. 12, 12.2010, p. 1375-1383.

Research output: Contribution to journal › Article › peer-review

Author

Gotlib, I. Yu ; Ivanov-Shitz, A. K. ; Murin, I. V. ; Petrov, A. V. ; Zakalyukin, R. M. / Computer simulation of AgI nanostructures in single-wall carbon nanotubes. In: Inorganic Materials. 2010 ; Vol. 46, No. 12. pp. 1375-1383.

BibTeX

@article{123a62bfdda9470a9eafed3eda5d3ddc,

title = "Computer simulation of AgI nanostructures in single-wall carbon nanotubes",

abstract = "Nanostructures resulting from the incorporation of silver iodide into single-wall carbon nanotubes (SWCNTs) of various diameters have been studied using molecular dynamics simulation. The results indicate the formation of single-wall silver iodide nanotubes when the SWCNT diameter is within 14.2 {\AA}, whereas thicker carbon tubes contain, in addition, an axial {"}filament{"} of silver and iodide ions. AgI nanotubes in SWCNTs typically have a hexagonal structure (with the ions in trigonal coordination).",

author = "Gotlib, {I. Yu} and Ivanov-Shitz, {A. K.} and Murin, {I. V.} and Petrov, {A. V.} and Zakalyukin, {R. M.}",

note = "Funding Information: This work was supported by the Russian Foundation for Basic Research, grant no. 08 03 01039 (Predicting the Properties of Novel Functional Materials for Solid State Ionics: Computer Simulation).",

year = "2010",

month = dec,

doi = "10.1134/S0020168510120198",

language = "English",

volume = "46",

pages = "1375--1383",

journal = "Inorganic Materials",

issn = "0020-1685",

publisher = "МАИК {"}Наука/Интерпериодика{"}",

number = "12",

}

RIS

TY - JOUR

T1 - Computer simulation of AgI nanostructures in single-wall carbon nanotubes

AU - Gotlib, I. Yu

AU - Ivanov-Shitz, A. K.

AU - Murin, I. V.

AU - Petrov, A. V.

AU - Zakalyukin, R. M.

N1 - Funding Information: This work was supported by the Russian Foundation for Basic Research, grant no. 08 03 01039 (Predicting the Properties of Novel Functional Materials for Solid State Ionics: Computer Simulation).

PY - 2010/12

Y1 - 2010/12

N2 - Nanostructures resulting from the incorporation of silver iodide into single-wall carbon nanotubes (SWCNTs) of various diameters have been studied using molecular dynamics simulation. The results indicate the formation of single-wall silver iodide nanotubes when the SWCNT diameter is within 14.2 Å, whereas thicker carbon tubes contain, in addition, an axial "filament" of silver and iodide ions. AgI nanotubes in SWCNTs typically have a hexagonal structure (with the ions in trigonal coordination).

AB - Nanostructures resulting from the incorporation of silver iodide into single-wall carbon nanotubes (SWCNTs) of various diameters have been studied using molecular dynamics simulation. The results indicate the formation of single-wall silver iodide nanotubes when the SWCNT diameter is within 14.2 Å, whereas thicker carbon tubes contain, in addition, an axial "filament" of silver and iodide ions. AgI nanotubes in SWCNTs typically have a hexagonal structure (with the ions in trigonal coordination).

UR - http://www.scopus.com/inward/record.url?scp=78650445776&partnerID=8YFLogxK

U2 - 10.1134/S0020168510120198

DO - 10.1134/S0020168510120198

M3 - Article

VL - 46

SP - 1375

EP - 1383

JO - Inorganic Materials

JF - Inorganic Materials

SN - 0020-1685

IS - 12

ER -

ID: 8144676