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Title: Mean Inner Potential of Liquid Water

Abstract

Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.

Authors:
 [1];  [1];  [1];  [1];  [2];  [1];  [1]
  1. Technical University of Denmark
  2. BATTELLE (PACIFIC NW LAB)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1605550
Report Number(s):
PNNL-SA-150355
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 124; Journal Issue: 6
Country of Publication:
United States
Language:
English

Citation Formats

Yesibolati, Murat N., Lagana, Simone, Sun, Hongyu, Beleggia, Marco, Kathmann, Shawn M., Kasama, Takeshi, and Molhave, Kristian. Mean Inner Potential of Liquid Water. United States: N. p., 2020. Web. doi:10.1103/PhysRevLett.124.065502.
Yesibolati, Murat N., Lagana, Simone, Sun, Hongyu, Beleggia, Marco, Kathmann, Shawn M., Kasama, Takeshi, & Molhave, Kristian. Mean Inner Potential of Liquid Water. United States. doi:10.1103/PhysRevLett.124.065502.
Yesibolati, Murat N., Lagana, Simone, Sun, Hongyu, Beleggia, Marco, Kathmann, Shawn M., Kasama, Takeshi, and Molhave, Kristian. Fri . "Mean Inner Potential of Liquid Water". United States. doi:10.1103/PhysRevLett.124.065502.
@article{osti_1605550,
title = {Mean Inner Potential of Liquid Water},
author = {Yesibolati, Murat N. and Lagana, Simone and Sun, Hongyu and Beleggia, Marco and Kathmann, Shawn M. and Kasama, Takeshi and Molhave, Kristian},
abstractNote = {Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundaries is essential to achieve a deeper understanding of the driving forces behind interfacial processes. Electron holography has proved successful in probing solid-solid interfaces but requires knowledge of the materials’ mean inner potential (MIP, V0), which is a fundamental bulk material property. Combining off-axis electron holography with liquid phase transmission electron microscopy (LPTEM), we provide the first quantitative MIP determination of liquid water V0=+4.48±0.19 V. This value is larger than most theoretical predictions, and to explain the disagreement we assess the dominant factors needed in quantum simulations of liquid water. A precise MIP lays the foundations for nanoscale holographic potential measurements in liquids and provides a benchmark to improve quantum mechanical descriptions of aqueous systems and their interfaces in e.g. electrochemistry, solvation processes and spectroscopy.},
doi = {10.1103/PhysRevLett.124.065502},
journal = {Physical Review Letters},
number = 6,
volume = 124,
place = {United States},
year = {2020},
month = {2}
}

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