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Water desalination with a single-layer MoS2 nanopore

Author

Listed:
  • Mohammad Heiranian

    (Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign)

  • Amir Barati Farimani

    (Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign)

  • Narayana R. Aluru

    (Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign)

Abstract

Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 Å2. Water flux is found to be two to five orders of magnitude greater than that of other known nanoporous membranes. Pore chemistry is shown to play a significant role in modulating the water flux. Pores with only molybdenum atoms on their edges lead to higher fluxes, which are ∼70% greater than that of graphene nanopores. These observations are explained by permeation coefficients, energy barriers, water density and velocity distributions in the pores.

Suggested Citation

  • Mohammad Heiranian & Amir Barati Farimani & Narayana R. Aluru, 2015. "Water desalination with a single-layer MoS2 nanopore," Nature Communications, Nature, vol. 6(1), pages 1-6, December.
    • Handle: RePEc:nat:natcom:v:6:y:2015:i:1:d:10.1038_ncomms9616
    DOI: 10.1038/ncomms9616
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    Cited by:

    1. Baghbanzadeh, Mohammadali & Rana, Dipak & Lan, Christopher Q. & Matsuura, Takeshi, 2017. "Zero thermal input membrane distillation, a zero-waste and sustainable solution for freshwater shortage," Applied Energy, Elsevier, vol. 187(C), pages 910-928.
    2. de Vasconcelos, Cláudia K.B. & Batista, Ronaldo J.C. & da Rocha Régis, McGlennon & Manhabosco, Taíse M. & de Oliveira, Alan B., 2016. "A simple model for solute–solvent separation through nanopores based on core-softened potentials," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 453(C), pages 184-193.

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