2018
DOI: 10.1021/acs.jpcb.8b01117
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Selective Permeation through One-Atom-Thick Nanoporous Carbon Membranes: Theory Reveals Excellent Design Strategies!

Abstract: Research on the permeation of various species through one-atom-thick nanoporous carbon membranes has gained an unprecedented importance in the past decade, thanks to the development of numerous theoretical design strategies for a plethora of applications ranging from gas separation, water desalination, isotope separation, and chiral separation, to DNA sequencing. Although some of the recent experiments have demonstrated successful performance of such carbon membranes in sieving, many of the suggested applicati… Show more

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Cited by 36 publications
(22 citation statements)
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“…All linked C-C bonds have a uniform length of 1.46Å which are in good agreement with the previous theoretical predictions. [52][53][54] Figure 1: The optimized 2 × 2 supercell structure of graphenylene-1 monolayer membrane. The electron density iso-surface of graphenylene-1 monolayer is also shown at isovalue of 0.007 eÅ −3 .…”
Section: Resultsmentioning
confidence: 99%
“…All linked C-C bonds have a uniform length of 1.46Å which are in good agreement with the previous theoretical predictions. [52][53][54] Figure 1: The optimized 2 × 2 supercell structure of graphenylene-1 monolayer membrane. The electron density iso-surface of graphenylene-1 monolayer is also shown at isovalue of 0.007 eÅ −3 .…”
Section: Resultsmentioning
confidence: 99%
“…However, attaining uniform porosity in graphene is a difficult task and hence carbon membranes like GYs which possess intrinsic pores are of great interest. 43 Theoretical studies have predicted the chemical inertness of free-standing graphyne layers and their stability under ambient temperature. [44][45][46] g-GYs exhibit non-zero band gap in contrast to the zero band gap of graphene.…”
Section: S Chandra Shekar Completed Hismentioning
confidence: 99%
“…92 The separation is not based on the kinetic diameter but according to the physical and chemical interactions between the pores and the penetrating molecules. 43 The purication of H 2 is also investigated using a-GY and g-GY. Sang et al modied the triangular pores in g-GY-1 by rupturing one-third of acetylenic bonds and replacing the unsatised valences using nitrogen and hydrogen atoms to obtain g-GYN and g-GYH, respectively.…”
Section: Graphynes For Gas Separationmentioning
confidence: 99%
“…12 Introducing defects and moderate annealing into the membrane, and nanopores of different sizes, may enable graphene and other 2D layers to act as atomic and molecular sieves. [12][13][14][15][16][17][18][19][20] The use of 2D materials as a filter at the molecular level is one of the most interesting applications. 14 Besides using 2D membranes with fabricated nanopores, some compounds contain nanopores in their structures at different positions and sizes; therefore, they are more naturally suited for filtering at the molecular level.…”
Section: Introductionmentioning
confidence: 99%