Molecular dynamics simulation of Pt@Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence
In this study, a pair of core-shell Pt@Au nanoalloy particles with 309 atoms was simulated in various solvents, including water, benzene, ethanol, water + benzene, and 1-butyl-1,1,1-trimethylammonium methanesulfonate [N1114][C1SO3] ionic liquid (IL) at 300 K and 1 atm. We investigated the aggregatio...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-09-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785423019038 |