title: Tunable, Strain-Controlled Nanoporous MoS₂ Filter for Water Desalination.
abstract: The deteriorating state of global fresh water resources represents one of the most serious challenges that scientists and policymakers currently face. Desalination technologies, which are designed to extract potable water from the planet's bountiful stores of seawater, could serve to alleviate much of the stress that presently plagues fresh water supplies. In recent decades, desalination methods have improved via water-filtering architectures based on nanoporous graphene filters and artificial membranes integrated with biological water channels. Here, we report the auspicious performance (in simulations) of an alternative nanoporous desalination filter constructed from a MoS2 nanosheet. In striking contrast to graphene-based filters, we find that the "open" and "closed" states of the MoS2 filter can be regulated by the introduction of mechanical strain, yielding a highly tunable nanopore interface. By applying lateral strain to the MoS2 filter in our simulations, we see that the transition point between "open" and "closed" states occurs under tension that induces about 6% cross-sectional expansion in the membrane (6% strain); the open state of the MoS2 filter demonstrates high water transparency and a strong salt filtering capability even under 12% strain. Our results thus demonstrate the promise of a controllable nanoporous MoS2 desalination filter, wherein the morphology and size of the central nanopore can be precisely regulated by tensile strain. These findings support the design and proliferation of tunable nanodevices for filtration and other applications.
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X) and Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University , Suzhou 215123, China.
authors.forename: Weifeng
authors.initials: W
authors.lastname: Li
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X) and Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University , Suzhou 215123, China.
authors.forename: Yanmei
authors.initials: Y
authors.lastname: Yang
authors.affiliation: Computational Biological Center, IBM Thomas J. Watson Research Center , Yorktown Heights, New York 10598, United States.
authors.forename: Jeffrey K
authors.initials: JK
authors.lastname: Weber
authors.affiliation: Institute of High Performance Computing, A*STAR , 138632 Singapore.
authors.forename: Gang
authors.initials: G
authors.lastname: Zhang
authors.affiliation: School for Radiological and Interdisciplinary Sciences (RAD-X) and Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University , Suzhou 215123, China.|Computational Biological Center, IBM Thomas J. Watson Research Center , Yorktown Heights, New York 10598, United States.|Department of Chemistry, Columbia University , New York, New York 10027, United States.
authors.forename: Ruhong
authors.initials: R
authors.lastname: Zhou
keywords: MoS2; molecular dynamics; nanopore; strain control; tunable nanodevice; water desalination