Tripyrrylmethane based 2D porous structure for hydrogen storage-中国期刊网

摘要氢存储的关键是与轻集体、大表面和富有的吸附地点设计新材料。在综合基于最近的试验性的成功tripyrrylmethane，我们探索了Ti-tripyrrylmethane基于的2D为氢存储使用的多孔的结构密度功能的理论。我们发现了结构是稳定的，并且暴露的Ti地点能与平均绑定绑三个氢分子0.175eV/H的精力在房间温度并且在周围的压力为氢的存储和版本躺在精力窗户的2,。

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Tripyrrylmethane based 2D porous structure for hydrogen storage

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Tripyrrylmethane based 2D porous structure for hydrogen storage

来源期刊

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