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Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces.

Pritam Kumar Panda1, Deobrat Singh1, Mateus H Köhler2

  • 1Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University Box 516 SE-75120 Uppsala Sweden rajeev.ahuja@physics.uu.se.

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Contact electrification, or triboelectrification, is better understood through first-principles theory. This study reveals interfacial charge transfer dynamics, explaining electron transfer between solids and liquids.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Physics

Background:

  • Contact electrification (triboelectrification) is a 2600-year-old phenomenon with an incompletely unified scientific understanding.
  • Recent findings suggest electron transfer, not just ion adsorption, occurs in solid-liquid contact electrification.

Purpose of the Study:

  • To develop a theoretical model for interfacial charge transfer in contact electrification.
  • To investigate charge transfer dynamics on various solid surfaces upon ion and molecule adsorption.
  • To elucidate the differences in charge transfer between solid-fluid interfaces.

Main Methods:

  • Utilized Density Functional Theory (DFT) formalism.
  • Employed temperature-dependent *ab initio* molecular dynamics.
  • Simulated adsorption of ions and molecules on AlN (001), GaN (001), and Si (001) surfaces.

Main Results:

  • The model successfully captures interfacial charge transfer dynamics.
  • Demonstrated substantial differences in charge transfer between solid and fluid phases.
  • Identified electron localization function as evidence for contact electrification at solid-liquid interfaces.

Conclusions:

  • The first-principles approach provides a unified understanding of contact electrification.
  • Interfacial charge transfer significantly influences solid-liquid interactions.
  • This work offers insights into predicting charge transfer differences and phenomena at solid-liquid interfaces.