Layered graphene-hexagonal BN nanocomposites: Experimentally feasible approach to charge-induced switchable CO2 capture
Tan, Xan, Kou, Liangzhi, & Smith, Sean C. (2015) Layered graphene-hexagonal BN nanocomposites: Experimentally feasible approach to charge-induced switchable CO2 capture. ChemSusChem, 8(17), pp. 2987-2993.
Recently, inducing negative charge density on hexagonal boron nitride (h-BN) has been predicted as an effective strategy for controllable, selective, and reversible CO2 capture. However, h-BN is a wide-gap semiconductor and it is not clear how to effectively induce the requisite negative charge density. In this paper, we employ first-principle calculations to propose hybrid h-BN-graphene (hybrid BN/G) nanosheets as an experimentally feasible strategy to induce charge on h-BN for charge-controlled CO2 capture. The results indicate that the charge density is effectively transferred from the graphene layer with high electronic mobility into the h-BN layer on the surface, regardless of the thickness of BN layers, such that CO2 capture/release can be simply controlled by switching on/off the charge states of hybrid BN/G system. In addition, these negatively charged hybrid BN/G are highly selective for separating CO2 from mixtures with CH4, N2, and/or H2. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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|Item Type:||Journal Article|
|Keywords:||boron nitride, co2 capture, density functional theory, graphene, selectivity|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2015 Wiley - V C H Verlag GmbH & Co. KGaA|
|Deposited On:||17 Aug 2016 04:05|
|Last Modified:||18 Aug 2016 05:06|
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