Self-assembly in systems based on l -cysteine–silver-nitrate aqueous solution: multiscale computer simulation
| Autor: | Maxim D. Malyshev, Svetlana D. Khizhnyak, Lubov V. Zherenkova, Pavel M. Pakhomov, Pavel V. Komarov |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Soft Matter. 18:7524-7536 |
| ISSN: | 1744-6848 1744-683X |
| Popis: | We use fully atomistic, quantum mechanics and mesoscopic simulations to investigate multiscale structure formation in a supramolecular system based on aqueous solutions of silver nitrate with L-cysteine (CSS). Fully atomistic modeling reveals that silver mercaptide clusters are formed in solution at the stage of aging, which has a pronounced "core-shell" structure. The core is formed due to the bonding of SAg groups of silver mercaptide (SM) zwitterions while the shell consists of NH |
| Databáze: | OpenAIRE |
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