In situ investigation of water on MXene interfaces.

Autor:	Zaman W; Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544.; Department of Mechanical Engineering, Vanderbilt University, Nashville, TN 37235., Matsumoto RA; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235., Thompson MW; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235., Liu YH; Department of Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30332., Bootwala Y; Department of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332., Dixit MB; Department of Mechanical Engineering, Vanderbilt University, Nashville, TN 37235., Nemsak S; Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720., Crumlin E; Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720., Hatzell MC; Department of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332., Cummings PT; Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235; peter.cummings@vanderbilt.edu kelsey.hatzell@princeton.edu., Hatzell KB; Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544; peter.cummings@vanderbilt.edu kelsey.hatzell@princeton.edu.; Department of Mechanical Engineering, Vanderbilt University, Nashville, TN 37235.; Andlinger Center for Energy and Environment, Princeton University, Princeton, NJ 08540.
Jazyk:	angličtina
Zdroj:	Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2021 Dec 07; Vol. 118 (49).
DOI:	10.1073/pnas.2108325118
Abstrakt:	A continuum of water populations can exist in nanoscale layered materials, which impacts transport phenomena relevant for separation, adsorption, and charge storage processes. Quantification and direct interrogation of water structure and organization are important in order to design materials with molecular-level control for emerging energy and water applications. Through combining molecular simulations with ambient-pressure X-ray photoelectron spectroscopy, X-ray diffraction, and diffuse reflectance infrared Fourier transform spectroscopy, we directly probe hydration mechanisms at confined and nonconfined regions in nanolayered transition-metal carbide materials. Hydrophobic (K + ) cations decrease water mobility within the confined interlayer and accelerate water removal at nonconfined surfaces. Hydrophilic cations (Li + ) increase water mobility within the confined interlayer and decrease water-removal rates at nonconfined surfaces. Solutes, rather than the surface terminating groups, are shown to be more impactful on the kinetics of water adsorption and desorption. Calculations from grand canonical molecular dynamics demonstrate that hydrophilic cations (Li + ) actively aid in water adsorption at MXene interfaces. In contrast, hydrophobic cations (K + ) weakly interact with water, leading to higher degrees of water ordering (orientation) and faster removal at elevated temperatures. Competing Interests: The authors declare no competing interest.
Databáze:	MEDLINE
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