https://www.selleckchem.com/pr....oducts/etomoxir-na-s
First-principles calculations are an important tool to investigate the complex processes occurring at solid/liquid interfaces which are at the heart of modern technologies. Currently, capturing the whole electrochemical environment at an interface, including the applied potential and solvation, still remains challenging as it necessitates to couple different approaches whose interactions are not fully understood. In this work, a grand canonical density functional theory approach is coupled with solvation models to investigate t
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