The effect of solvents on formaldehyde adsorption performance on pristine and Pd doped on single-walled carbon nanotube using density functional theory

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• 作者：Mehdi Yoosefian^a ; Adeleh Mola^b ; ^{adelehmola1979@gmail.com} ; Ebrahim Fooladi^c ; Saeid Ahmadzadeh^b ; ^{chem_ahmadzadeh@yahoo.com}
• 关键词：Pd loaded on SWCNT ; CNT ; Sensor ; Formaldehyde ; DFT ; Solvent effect
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：225
• 期：Complete
• 页码：34-41
• 全文大小：1061 K
• 卷排序：225

文摘

Investigation of different solvents on adsorption of CH2O on CNT and Pd/CNT. Stabilization energy was calculated. CCl4 and water had the best and worst effect on adsorption process respectively. The presence of solvent has negative effect on adsorption of CH2O.