Hydrogenation of Fullerene C60: Material Design of Organic Semiconductors by Computation
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منابع مشابه
Materials for Hydrogen Storage and Synthesis of New Materials by Hydrogenation
The search for new materials for hydrogen storage is important for the development of future hydrogen energy applications. In this Thesis, it is shown that new materials with interesting properties can be synthesized by the reaction of hydrogen with various nanocarbon precursors. The thesis consists of two parts. The first part is devoted to studies of hydrogen storage in some metalorganic fram...
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The results of recent investigation of fullerenefullerene hydride system as a potential high capacity hydrogen storage option are presented. Theoretically, C60 fullerenes can reversibly store up to 7.7 wt.% hydrogen by forming fullerene hydride C60Hx. However, high temperature and pressure are currently required to enable hydrogen exchange in this system. For example, direct hydrogenation of f...
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We present a theoretical study of a new hybrid compound, where the C60 molecules are encapsulated in a recently discovered metal-organic framework (MOF). Being placed in a rigid skeleton, the fullerene molecules form a cubic crystal, while the intermolecular distance of the fullerenes is tuned by the choice of appropriate organic linkers of the MOF structure. The resulting C60 crystal shows a d...
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تاریخ انتشار 2017