Structural and electronic properties of single-wall carbon nanotubes with various nitrogen content
VG Boutko, AA Gusev, TN Shevtsova… - Low Temperature …, 2011 - pubs.aip.org
The band structure of a carbon-nitrogen nanotube of “zigzag” type (8, 0) with nitrogen atom
concentrations of 6.25%, 12.5%, and 25% and “armchair”(5, 5) carbon-nitrogen nanotube
with nitrogen atom concentrations of 10% and 20% is calculated within the density functional
theory approach. The calculations are carried out taking into account optimizations of both
the longitudinal and transverse nanotube structural parameters. The structure is distorted
significantly both lengthwise and across with increasing nitrogen concentrations. In …
concentrations of 6.25%, 12.5%, and 25% and “armchair”(5, 5) carbon-nitrogen nanotube
with nitrogen atom concentrations of 10% and 20% is calculated within the density functional
theory approach. The calculations are carried out taking into account optimizations of both
the longitudinal and transverse nanotube structural parameters. The structure is distorted
significantly both lengthwise and across with increasing nitrogen concentrations. In …
Structural and electronic properties of single-wall carbon nanotubes with various nitrogen content; Strukturnye i ehlektronnye svojstva odnoslojnykh nanotrubok s …
VG But'ko, AA Gusev, TN Sevtsova… - Fizika Nizkikh …, 2011 - osti.gov
The band structure of'zigzag'type (8, 0) carbonnitrogen nanotube with nitrogen atom
concentration of 6, 25%, 12, 5%, and 25% and'armchair'(5, 5) carbonnitrogen nanotube with
nitrogen atom concentration of 10% and 20% is calculated within the density functional
theory approach. The calculations are carried out with taking into account such optimizations
of nanotube structural parameters as longitudinal as transverse. The structure in lengthwise
and crosswise directions is distorted essentially with increasing the nitrogen concentration …
concentration of 6, 25%, 12, 5%, and 25% and'armchair'(5, 5) carbonnitrogen nanotube with
nitrogen atom concentration of 10% and 20% is calculated within the density functional
theory approach. The calculations are carried out with taking into account such optimizations
of nanotube structural parameters as longitudinal as transverse. The structure in lengthwise
and crosswise directions is distorted essentially with increasing the nitrogen concentration …
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