Tuning Intrinsic Water Permeation Barriers in Nanoporous Graphene via Systematic Pore-Edge Modification: A First-Principles Study

Published: 30 March 2026| Version 1 | DOI: 10.17632/rmck42nr44.1
Contributors:
,
,
,
, Shashikant Patole

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Tuning Intrinsic Water Permeation Barriers in Nanoporous Graphene via Systematic Pore-Edge Modification: A First-Principles Study

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Density Functional Theory with Pure Functionals

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