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Low-Energy Electron Inelastic Mean Free Path for Liquid Water
Hieu T Nguyen-Truong1,2, Zhengxin Hu3,4, Bo Da4
1Laboratory of Applied Physics, Science and Technology Advanced Institute, Van Lang University, Ho Chi Minh City, Vietnam.
The Journal of Physical Chemistry Letters
|April 30, 2025
Summary
We calculated the electron inelastic mean free path (IMFP) for liquid water using dielectric formalism. Our findings show the main energy loss peak isn't from plasmon excitation, validating the IMFP calculation.
Area of Science:
- Condensed matter physics
- Materials science
- Physical chemistry
Background:
- Understanding electron interactions in condensed matter is crucial for materials science and nanotechnology.
- The inelastic mean free path (IMFP) is a key parameter for electron transport in materials.
- Liquid water's unique properties necessitate specific studies of its electronic interactions.
Purpose of the Study:
- To determine the low-energy electron inelastic mean free path (IMFP) for liquid water.
- To analyze the energy-loss function (ELF) and identify dominant energy loss mechanisms.
- To validate the calculated IMFP by incorporating various excitation contributions.
Main Methods:
- Utilizing the dielectric formalism to model electron interactions.
- Calculating the energy-loss function (ELF) via time-dependent density-functional theory (TDDFT).
- Incorporating contributions from rotational and vibrational excitations.
Main Results:
- The primary energy loss peak in liquid water was identified as non-plasmonic.
- A reliable IMFP for liquid water was determined using the calculated ELF.
- Inclusion of rotational and vibrational excitations confirmed the IMFP's reliability.
Conclusions:
- The study provides a robust calculation of the electron IMFP in liquid water.
- The findings clarify the nature of electronic excitations in liquid water.
- This research contributes to a better understanding of electron-matter interactions in biological and environmental contexts.
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