Computational Design of Porous Graphenes for Alkane Isomer Separation
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DOI: 10.1021/acs.jpcc.7b02915
Abstract: Using first-principles calculations, we systematically evaluated a series of single-layer porous graphene membranes with different sized pores passivated by hydrogen atoms for separating short alkane isomers (C = 5–7). We found that graphene membranes with… read more here.
Keywords: computational design; graphenes alkane; porous graphenes; separation ... See more keywords