Investigations of CO2, CH4 and N2 physisorption in single-walled silicon carbon nanotubes using GCMC simulation
نویسندگان
چکیده
منابع مشابه
A Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
متن کاملA Theoretical Study of H2S and CO2 Interaction with the Single-Walled Nitrogen Doped Carbon Nanotubes
The physical adsorption of hydrogen sulfide and carbon dioxide gases on the zigzag (5,0) carbon nanotubes doped with nitrogen was investigated through the application of B3LYP/6-31G* at the level of theory on Gaussian 03 software. A variety of stable and high abundance structures of nitrogen doped carbon nanotubes were considered in order to study the interaction between the mentioned gases in ...
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Single-walled carbon nanotubes (SWCNTs) are hollow, long cylinders with extremely large aspect ratios, made of one atomic sheet of carbon atoms in a honeycomb lattice. They possess extraordinary thermal, mechanical, and electrical properties and are considered as one of the most promising nanomaterials for applications and basic research. This chapter describes the structural, electronic, vibra...
متن کاملMetallic single-walled silicon nanotubes.
Atomistic computer-simulation evidences are presented for the possible existence of one-dimensional silicon nanostructures: the square, pentagonal, and hexagonal single-walled silicon nanotubes (SWSNTs). The local geometric structure of the SWSNTs differs from the local tetrahedral structure of cubic diamond silicon, although the coordination number of atoms of the SWSNTs is still fourfold. Ab ...
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We have developed electronic devices and sensors that use two-dimensional random networks of SWNTs as the active electronic material [1]. Such network devices display the aggregate properties of many randomly distributed SWNTs and can be processed into devices of arbitrary size using conventional microfabrication technology. We report here on the results of our efforts to develop chemical senso...
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ژورنال
عنوان ژورنال: International Nano Letters
سال: 2014
ISSN: 2008-9295,2228-5326
DOI: 10.1007/s40089-014-0095-6