DFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation

TitleDFT investigation of the potential of porous cages for the catalysis of ammonia borane dehydrogenation
Publication TypeJournal Article
Year of Publication2011
AuthorsPal, A, Vanka, K
JournalChemical Communications
Volume47
Issue41
Pagination11417-11419
Date PublishedSEP
Type of ArticleArticle
ISSN1359-7345
Abstract

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.

DOI10.1039/c1cc13285g
Type of Journal (Indian or Foreign)Foreign
Impact Factor (IF)5.96
Divison category: 
Physical and Materials Chemistry