| Grant number: | 14/01174-5 |
| Support Opportunities: | Scholarships in Brazil - Scientific Initiation |
| Start date: | April 01, 2014 |
| End date: | March 31, 2016 |
| Field of knowledge: | Physical Sciences and Mathematics - Chemistry - Physical-Chemistry |
| Principal Investigator: | Rodrigo Queiroz de Albuquerque |
| Grantee: | Renato Grigolon Capelo |
| Host Institution: | Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil |
Abstract Understanding the properties of nanoalloys (NLs) and nanoparticles (NPs) of transition metals is very important for the development of new NLs or NPs with desired catalytic properties. Theoretical tools such as molecular dynamics are an efficient way to investigate the properties of these particles. In this project, we analyze the melting point of NPs of Au, Pt, Ni, and Pd through their respective atomic mobilities (MSD), using molecular dynamics simulations at various temperatures. Trends of MSD obtained for NPs and bimetallic NLs (AuxPty and NixPdy) with different compositions and sizes are also investigated and the results will be used to discuss their relative stabilities. (AU) | |
| News published in Agência FAPESP Newsletter about the scholarship: | |
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