Browsing Physics (Theses and Dissertations) by Subject "ab initio MD"
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Towards a parameter-free theory for electrochemical process at the nano-scale
(Trinity College Dublin. School of Physics. Discipline of Physics, 2019)The mass and charge distribution at electrochemical interfaces plays a key role in driving electrochemical phenomena. However, in spite of its importance, even the structure of the Pt/water interface under bias, the most ...