New method for the calculation of hydrogen adsorption at nanotube surfaces.

被引：0
|
作者：
Fedorov, AS [1 ]
Sorokin, PB [1 ]
机构：
[1] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Akademgorodok, Russia
来源：
Electronic Properties of Novel Nanostructures | 2005年 / 786卷
关键词：
carbon nanotubes; adsorption; hydrogen; phase transitions;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We propose here new method for calculation of the thermodynamics of adsorbed particles. Wherewith the quantum and temperature effects are. taken into account. The method is based on the solution of Schrodinger equation for adsorbate and using of Gibbs distribution for particle positions and occupation of energy levels. The method is applied for investigation of hydrogen adsorption at internal and external surfaces of CNT of (10, 10) and (20, 0) kinds. It is shown the rho (P,T) does not exceed similar to 3-4% (at both surfaces adsorption) at pressure up to 500 Bar and low temperatures.
引用
收藏
页码：428 / 431
页数：4
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