Fullerene-C₆₀ and crown ether doped on C₆₀ sensors for high sensitive detection of alkali and alkaline earth cations

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• 作者：Fatemeh Alipour Zaghmarzi^a ; Mansour Zahedi^b ; Adeleh Mola^c ; ^d ; ^{adelehmola1979@yahoo.com} ; Saboora Abedini^a ; Sattar Arshadi^d ; Saeed Ahmadzadeh^c ; Nazanin Etminan^d ; Omran Younesi^d ; Elham Rahmanifar^e ; Mehdi Yoosefian^e
• 关键词：Fullerene-C60 ; Chemical sensor ; Alkali and alkaline earth cations ; Nanocages ; QTAIM
• 刊名：Physica E: Low-dimensional Systems and Nanostructures
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：87
• 期：Complete
• 页码：51-58
• 全文大小：1118 K
• 卷排序：87

文摘

Study the Fullerene-C60 and crown ether doped on C60 sensors for high sensitive detection of alkali and alkaline earth. The AIM analyses are utilized to understand the nature of intermolecular interaction between the M cations and nanocages. The HOMO-LUMO energy gap, work function (ϕ) and electronegativity are investigated and calculated in this study. Number of transferred electron (∆N), dipole moment as well as the related hardness and softness are investigated.