A DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation.
نویسندگان
چکیده
Full DFT based quantum mechanical studies reveal that zero dimensional porous structures, especially the newly proposed phosphorus incorporated organic cages, can be excellent catalysts for the dehydrogenation of ammonia borane.
منابع مشابه
Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT study.
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عنوان ژورنال:
- Chemical communications
دوره 47 41 شماره
صفحات -
تاریخ انتشار 2011