Stability of molecular hydrogen inside C₇₂₀ fullerene: A path integral Monte Carlo study

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• 作者：Binh Nguyen^a ; Anthony Cruz^a ; ^b ; Donna McGregor^a ; ^b ; ^{donna.mcgregor@lehman.cuny.edu} ; Gustavo E. Ló ; pez^a ; ^b ; ^{gustavo.lopez1@lehman.cuny.edu}
• 关键词：Fuel cells ; Hydrogen storage ; Fullerene
• 刊名：Physics Letters A
• 出版年：2017
• 出版时间：30 January 2017
• 年：2017
• 卷：381
• 期：4
• 页码：298-300
• 全文大小：719 K
• 卷排序：381

文摘

The amount of molecular hydrogen that can be confined in C720 was determined. The stability of the confined fluid was determined. Quantum effects are considered using path integral. The confined molecular fluid has a layered spherical structure.