Molecular transport enhancement in pure metallic carbon nanotube porins

Li, Yuhao; Li, Zhongwu; Misra, Rahul Prasanna; Liang, Chenxing; Gillen, Alice J.; Zhao, Sidi; Abdullah, Jobaer; Laurence, Ted; Fagan, Jeffrey A.; Aluru, Narayana; Blankschtein, Daniel; Noy, Aleksandr

doi:10.1038/s41563-024-01925-w

Molecular transport enhancement in pure metallic carbon nanotube porins

Journal Article · Thu Jun 27 00:00:00 EDT 2024 · Nature Materials

DOI:https://doi.org/10.1038/s41563-024-01925-w· OSTI ID:2429378

^[1]; ^[1]; ^[2]; ^[3]; ^[4]; ^[5]; Abdullah, Jobaer ^[5]; ^[1]; ^[6]; ^[3]; ^[2]; ^[5]

Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Univ. of Texas, Austin, TX (United States)
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Vivani Medical Inc., Emeryville, CA (United States)
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Univ. of California, Merced, CA (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)

Nanofluidic channels impose extreme confinement on water and ions, giving rise to unusual transport phenomena strongly dependent on the interactions at the channel–wall interface. Yet how the electronic properties of the nanofluidic channels influence transport efficiency remains largely unexplored. Here we measure transport through the inner pores of sub-1 nm metallic and semiconducting carbon nanotube porins. We find that water and proton transport are enhanced in metallic nanotubes over semiconducting nanotubes, whereas ion transport is largely insensitive to the nanotube bandgap value. Molecular simulations using polarizable force fields highlight the contributions of the anisotropic polarizability tensor of the carbon nanotubes to the ion–nanotube interactions and the water friction coefficient. We also describe the origin of the proton transport enhancement in metallic nanotubes using deep neural network molecular dynamics simulations. Finally, these results emphasize the complex role of the electronic properties of nanofluidic channels in modulating transport under extreme nanoscale confinement.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Enhanced Nanofluidic Transport (CENT); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC52-07NA27344; SC0019112

OSTI ID:: 2429378

Report Number(s):: LLNL--JRNL-844793; 1068128

Journal Information:: Nature Materials, Journal Name: Nature Materials Journal Issue: 8 Vol. 23; ISSN 1476-1122

Publisher:: Springer NatureCopyright Statement

Country of Publication:: United States

Language:: English

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