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Charge Exchange and Transfer between Water and van der Waals Monolayers Under Tensile Strains
Yue Wang1, Wanlin Guo1, Yufeng Guo1
1State Key Laboratory of Mechanics and Control for Aerospace Structures, MOE Key Laboratory for Intelligent Nano Materials and Devices, College of Aerospace Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China.
Langmuir : the ACS Journal of Surfaces and Colloids
|December 28, 2023
Summary
Strain and defects in 2D materials boost electricity harvesting from water by enhancing charge transfer. Ions in water, however, hinder this process, impacting nanogenerator performance.
Area of Science:
- Materials Science
- Surface Chemistry
- Energy Harvesting
Background:
- Efficient electricity generation from water using nanogenerators relies on charge transfer at interfaces.
- Understanding interactions between water and low-dimensional materials is key to optimizing these devices.
Purpose of the Study:
- To systematically investigate interface interactions and charge transfer between water and various two-dimensional (2D) van der Waals monolayers.
- To explore the effects of strain, defects, and ions on charge exchange dynamics.
Main Methods:
- First-principles calculations.
- Molecular dynamics simulations.
- Systematic investigation of 2D materials (TMDs, h-BN, graphene) with pure and ion-containing water.
Main Results:
- Uniaxial tensile strain and defects on 2D monolayers significantly enhance interface interaction and charge transfer to water.
- Strain/defects weaken 2D material bonds and alter interfacial water hydrogen bond networks.
- Ions in water suppress charge transfer and reduce adhesion due to hydrated ions and ion-water interactions.
Conclusions:
- Strain and defects are crucial for enhancing charge exchange and transfer for water-based nanogenerators.
- The presence of ions negatively impacts charge transfer efficiency and interfacial adhesion.
- These findings provide insights into controlling water-material interactions for improved energy harvesting.
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