The SH functionalized B₂₄N₂₄ and B₂₄P₂₄ nanocages as potential sensor for oxygen difluoride (OF₂) detection in the gas phase and methanol

详细信息    查看全文

• 关键词：DFT ; Methanol ; Nanocage ; OF2 ; Adsorption
• 刊名：Vacuum
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：135
• 期：Complete
• 页码：18-21
• 全文大小：551 K
• 卷排序：135

文摘

B24P24 has higher potential to OF2 adsorption in comparison to B24N24. SH functionalization of studied nanocages improve the OF2 adsorption ability of them. Ead is suitable scale to propose the novel toxic gas sensor based on nanostructured. Ead and EHLG of studied nanocages have linear dependences.