Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals

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Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals

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作者：Michael Mananghaya^a ; ^b ; ^c ; ^{michael.mananghaya@dlsu.edu.ph" class="auth_mail" title="E-mail the corresponding author} ; ^{mikemananghaya@gmail.com" class="auth_mail" title="E-mail the corresponding author} ; Dennis Yu^a ; ^b ; Gil Nonato Santos^a ; ^b
关键词：Adsorption ; Computer modeling and simulation ; Desorption ; Nanostructures
刊名：International Journal of Hydrogen Energy
出版年：2016
出版时间：17 August 2016
年：2016
卷：41
期：31
页码：13531-13539
全文大小：1897 K

文摘

•: Functionalization of Ti and V with BNNT is thermodynamically stable.
•: Ti and V/BNNT complex enhanced the binding of H₂ molecules.
•: 7.17 wt% H₂ is achievable in the Ti/BNNT complex.
•: Ti/BNNT complex has a reversible H₂ adsorption at room temperature.

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