Open-Tip Carbon Nanotubes for Enhanced Methane Adsorption Performance: A Comparative Study
نویسندگان
چکیده
منابع مشابه
CO2 adsorption on the surface and open ended of Single wall carbon nanotubes (SWCNTs): A Comparative study
Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...
متن کاملCO2 adsorption on the surface and open ended of Single wall carbon nanotubes (SWCNTs): A Comparative study
Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...
متن کاملStudy of Methane Storage and Adsorption Equilibria in Multi-Walled Carbon Nanotubes
Adsorbed natural gas has various advantages and is relatively more economical than liquefaction and compression. Carbon nanotubes can be introduced as a new candidate for natural gas storage. In this study, adsorption of methane was firstly studied on the as-prepared multi-walled carbon nanotubes, and then chemical and physical treatment of MWCNTs was performed to enhance the methane adsorp...
متن کاملMolecular Dynamic Simulation of Multilayer Methane Adsorption on / in Open Ended Single - Walled Carbon Nanotubes
In this paper, methane adsorption on open ended single-walled carbon nanotubes (o-SWCNT) is studied using molecular dynamics simulation. A site-site potential model of so-called Leonard-Jones is considered to evaluate all interactions. Monolayer/multilayer adsorption isotherms for methane inside/outside of an armchair (10, 10) o-SWCNT are obtained at different temperatures. The simulation data ...
متن کاملco2 adsorption on the surface and open ended of single wall carbon nanotubes (swcnts): a comparative study
adsorption of co2 on the surface of single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (swcnts) were studied through using density functional theory (dft) calculations. optimizations of geometric were performed at the b3pw91 level of 6-311++g** method standard basis set using gaussian 03 package of program [1]. structural models were optimized and adsorption energies, band gap, charge...
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ژورنال
عنوان ژورنال: Journal of Nanotechnology
سال: 2018
ISSN: 1687-9503,1687-9511
DOI: 10.1155/2018/8905204