Probation of charge transport with chalcogens as linker group for C₂₀ fullerene

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• 作者：Milanpreet Kaur ; Ravinder Singh Sawhney ; Derick Engles ; ^{mkb1313@yahoo.com" class="auth_mail" title="E-mail the corresponding author}
• 关键词：Non Equilibrium Green&rsquo ; s Function (NEGF) ; Extended Hü ; ckel Theory (EHT) ; Molecular electronics ; Chalcogens (Group xvi)
• 刊名：Materials Today: Proceedings
• 出版年：2016
• 出版时间：2016
• 年：2016
• 卷：3
• 期：6
• 页码：1304-1310
• 全文大小：619 K

文摘

In this paper, we explored the superconductive nature of fullerenes for its applications in molecular electronics. The fullerenes that we exploited for this research work were C20 and its three variants; formed by anchoring with oxygen, sulphur and selenium atoms from chalcogens group (Group xvi) of periodic table. Next, the self-consistent calculations using Extended Hückel Theory (EHT)–Non Equilibrium Green Function (NEGF) were performed in extended molecule configuration in which fullerene molecule was bridged in gold electrodes. The quantum characteristics of these variants were scrutinized and compared, which demonstrated the electrical superiority of pure C20 molecule over the rest of its variants.