Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes
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单壁碳纳米管内白磷的封装和聚合
DOI：
10.1002/ange.201703585
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发表时间：
2017
影响因子：
--
通讯作者：
Hart M
中科院分区：
文献类型：
--
作者：
Hart M
元素磷显示出数量可观的同素异形体，具有高度多样的化学和物理性质。白色磷现在已经从液体中填充到单壁碳纳米管（SWCNT）中，从而稳定了与大气氧气的高度放热反应。用透射电子显微镜观察封装的四磷分子，但发现在单壁碳纳米管“纳米反应器”内容易转化为链结构。通过计算确定了可能的链结构的能量，突出了聚合程度和SWCNT直径之间的微妙平衡。在实验上，观察到磷原子的单链之字形链，这是在小限制直径下能量最低的结构。这些一维链提供了从白色到赤磷转变的最初步骤的一瞥。
Elemental phosphorus displays an impressive number of allotropes with highly diverse chemical and physical properties. White phosphorus has now been filled into single‐wall carbon nanotubes (SWCNTs) from the liquid and thereby stabilized against the highly exothermic reaction with atmospheric oxygen. The encapsulated tetraphosphorus molecules were visualized with transmission electron microscopy, but found to convert readily into chain structures inside the SWCNT “nanoreactors”. The energies of the possible chain structures were determined computationally, highlighting a delicate balance between the extent of polymerization and the SWCNT diameter. Experimentally, a single‐stranded zig‐zag chain of phosphorus atoms was observed, which is the lowest energy structure at small confinement diameters. These one‐dimensional chains provide a glimpse into the very first steps of the transformation from white to red phosphorus.