Hidden porous boron nitride as a high-efficiency membrane for hydrogen purification. Issue 39 (6th October 2020)

• Record Type: Journal Article
• Authors: Lin, Shuyi; Xu, Meiling; Qu, Ziyang; Liang, Yiwei; Li, Yan; Cui, Wenwen; Shi, Jingming; Zeng, Qingxin; Hao, Jian; Li, Yinwei
• Is Part Of: Physical chemistry chemical physics. Volume 22:Issue 39(2020)
• Page Start: 22778
• Page End: 22784
• Publication Date: 2020-10-06
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d0cp03785k
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : A predicted atom-thick porous h ′-BN monolayer which possesses excellent selectivity, permeability and mechanical strength for hydrogen purification. Abstract : Nanoporous atom-thick two-dimensional materials with uniform pore size distribution and excellent mechanical strength have been considered as the ideal membranes for hydrogen purification. Here, our first-principles structure search has unravelled four porous boron nitride monolayers ( m -BN, t -BN, h ′-BN and h ′′-BN) that are metastable relative to h -BN. Especially, h ′-BN consisting of B6 N6 rings exhibits outstanding selectivity and permeability for hydrogen purification, higher than those of common membranes. Importantly, h ′-BN possesses the mechanical strength to sustain a stress of 48 GPa, which is two orders of magnitude higher than that (0.38 GPa) of a recently reported graphene-nanomesh/single-walled carbon nanotube network hybrid membrane. The excellent selectivity, permeability and mechanical strength make h ′-BN an ideal candidate for hydrogen purification.