Binding of polar and hydrophobic molecules at the LiCoO2 (001)-water interface: force field development and molecular dynamics simulations
| Autor: | Dongyue Liang, Juan Liu, Hendrik Heinz, Sara E. Mason, Robert J. Hamers, Qiang Cui |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Nanoscale. 14:7003-7014 |
| ISSN: | 2040-3372 2040-3364 |
| Popis: | A classical model in the framework of the INTERFACE force field has been developed for treating the LiCoO2 (LCO) (001)/water interface. |
| Databáze: | OpenAIRE |
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