Specific ion effects at graphitic interfaces

Zhan, Cheng; Cerón, Maira R.; Hawks, Steven A.; Otani, Minoru; Wood, Brandon C.; Pham, Tuan Anh; Stadermann, Michael; Campbell, Patrick G.

doi:10.1038/s41467-019-12854-7

Title: Specific ion effects at graphitic interfaces

Journal Article · Thu Oct 24 00:00:00 EDT 2019 · Nature Communications

DOI:https://doi.org/10.1038/s41467-019-12854-7· OSTI ID:1633023

Zhan, Cheng ^[1];

^[1];

^[2]; Wood, Brandon C. ^[1]; Pham, Tuan Anh ^[1]; Stadermann, Michael ^[1];

^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
National Inst. of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)

Improved understanding of aqueous solutions at graphitic interfaces is critical for energy storage and water desalination. However, many mechanistic details remain unclear, including how interfacial structure and response are dictated by intrinsic properties of solvated ions under applied voltage. In this work, we combine hybrid first-principles/continuum simulations with electrochemical measurements to investigate adsorption of several alkali-metal cations at the interface with graphene and within graphene slit-pores. We confirm that adsorption energy increases with ionic radius, while being highly dependent on the pore size. In addition, in contrast with conventional electrochemical models, we find that interfacial charge transfer contributes non-negligibly to this interaction and can be further enhanced by confinement. We conclude that the measured interfacial capacitance trends result from a complex interplay between voltage, confinement, and specific ion effects-including ion hydration and charge transfer.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1633023

Report Number(s):: LLNL-JRNL-778780; 968664

Journal Information:: Nature Communications, Vol. 10, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 42 works

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