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Shape control of deformable charge-patterned nanoparticles
Fanbo Sun1, Nicholas E Brunk2,3, Vikram Jadhao1
1Intelligent Systems Engineering, Indiana University, Bloomington, Indiana 47408, USA.
Physical Review. E
|February 17, 2023
Summary
Researchers engineered the shapes of deformable nanoparticles (NPs) by controlling surface charge patterns. These shape-shifting NPs can be used to create advanced reconfigurable materials and responsive nanocontainers.
Area of Science:
- Nanotechnology
- Materials Science
- Computational Chemistry
Background:
- Deformable nanoparticles (NPs) are dynamic building blocks for reconfigurable materials.
- Understanding NP shape control is crucial for designing responsive materials.
Purpose of the Study:
- To determine low-energy shapes of charge-patterned deformable NPs.
- To investigate how surface charge and ionic strength influence NP shape.
- To explore implications for nanocontainer and reconfigurable material design.
Main Methods:
- Molecular dynamics-based simulated annealing to minimize a coarse-grained model Hamiltonian.
- Calculations incorporating NP elastic and electrostatic energies under volume constraint.
- Manning model calculations for counterion condensation effects.
Main Results:
- Deformable NPs with specific charge patterns exhibit diverse shape transitions (e.g., octahedra, spheroids, bowls).
- Shape adaptation is sensitive to surface charge coverage and ionic strength.
- Shape control is achievable across different NP sizes.
Conclusions:
- Charge-pattern engineering enables precise control over deformable NP shapes.
- These findings facilitate the development of advanced responsive nanostructures and materials.
- The study provides a foundation for designing functional nanomaterials with tunable properties.
