Study of Xe Adsorption on Single Wall Silicon Nanotubes Using Molecular Dynamics Simulation

被引：2
作者：
Jalili, S. [1 ,2 ]
Ashrafi, R. [2 ]
机构：
[1] K N Toosi Univ Technol, Dept Chem, Tehran, Iran
[2] Inst Studies Theoret Phys & Math IPM, Computat Phys Sci Res Lab, Dept Nanosci, Tehran, Iran
来源：
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2009年 / 6卷 / 03期
关键词：
Single Wall Silicon Nanotube; Molecular Dynamics Simulation; Adsorption Isotherm; Isosteric Heat; Binding Energy;
D O I：
10.1166/jctn.2009.1102
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Adsorption of Xenon on the internal and external surfaces of single wall silicon nanotubes (SWS-iNTs) were studied using molecular dynamics simulation. The adsorption of Xe on the (6,6), (8,8) and (10,10) SWSiNTs is studied at 100 to 150 K and different pressures. Adsorption isotherms, isosteric heat of adsorption and binding energy for the adsorption of Xe atoms on the Si nanotubes are obtained. We found that a large amount of Xe adsorb on Si nanotube. The storage capacity and arrangement of Xe atoms inside of these nanotubes depend to the nanotube's diameter.
引用
收藏
页码：737 / 741
页数：5
相关论文
共 25 条
[1]  
Allen M. P., 1989, Computer Simulation of Liquids, DOI DOI 10.1007/BF00646086
[2]   Metallic single-walled silicon nanotubes [J].
Bai, J ;
Zeng, XC ;
Tanaka, H ;
Zeng, JY .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2004, 101 (09) :2664-2668
[3]   Silicon nanotubes: Synthesis and characterization [J].
Castrucci, P. ;
Scarselli, M. ;
De Crescenzi, M. ;
Diociaiuti, M. ;
Chaudhari, Prajakta S. ;
Balasubramanian, C. ;
Bhave, Tejashree M. ;
Bhoraskar, S. V. .
THIN SOLID FILMS, 2006, 508 (1-2) :226-230
[4]  
CHRISMANN K, 1991, INTRO SURFACE PHYS C, P12105
[5]   Nanowire nanosensors for highly sensitive and selective detection of biological and chemical species [J].
Cui, Y ;
Wei, QQ ;
Park, HK ;
Lieber, CM .
SCIENCE, 2001, 293 (5533) :1289-1292
[6]   High performance silicon nanowire field effect transistors [J].
Cui, Y ;
Zhong, ZH ;
Wang, DL ;
Wang, WU ;
Lieber, CM .
NANO LETTERS, 2003, 3 (02) :149-152
[7]   Doping and electrical transport in silicon nanowires [J].
Cui, Y ;
Duan, XF ;
Hu, JT ;
Lieber, CM .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (22) :5213-5216
[8]   Ab initio calculations for a hypothetical material:: Silicon nanotubes [J].
Fagan, SB ;
Baierle, RJ ;
Mota, R ;
da Silva, AJR ;
Fazzio, A .
PHYSICAL REVIEW B, 2000, 61 (15) :9994-9996
[9]   Stability investigation and thermal behavior of a hypothetical silicon nanotube [J].
Fagan, SB ;
Mota, R ;
Baierle, RJ ;
Paiva, G ;
da Silva, AJR ;
Fazzio, A .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2001, 539 :101-106
[10]   Direct ultrasensitive electrical detection of DNA and DNA sequence variations using nanowire nanosensors [J].
Hahm, J ;
Lieber, CM .
NANO LETTERS, 2004, 4 (01) :51-54
123