Porous graphene and nanomeshes
Jiao, Yan, Hankel, Marlies, Du, Aijun, & Smith, Sean C. (2013) Porous graphene and nanomeshes. In Jiang, De-en & Chen, Zhongfang (Eds.) Graphene Chemistry : Theoretical Perspectives. John Wiley & Sons, Ltd, Puerto Rico, pp. 129-151.
This chapter briefly introduces the concepts and modeling of gas/isotope separation by two dimensional carbon frameworks, i.e. porous graphene and carbon nanomeshes, on the basis of reviewing recent literatures. The small size of evenly distributed pores on these carbon frameworks make them ideal not only for the separation of small gas molecules but also for isotope separation by utilizing the different zero point energies induced by confinement of the pores. The related simulations were treated by transition state theory, an affordable yet precise method that could be adopted in combination with different levels of theory. Such method could be employed to evaluate the performance, as well as to aid the design, of other 2D carbon frameworks toward the goal of gas/isotope separation in the future.
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|Item Type:||Book Chapter|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Deposited On:||02 Oct 2013 23:01|
|Last Modified:||03 Oct 2013 22:28|
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