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Electrode Dynamics from First Principles
Journal of the Physical Society of Japan
The investigation of electrode dynamics has been a major topic in the field of electrochemistry for a century. Electrode dynamics consist of electron transfer reactions that give rise to, or are caused by, a bias voltage, and are influenced by surface catalysis, electrolyte solution, transport of electrons and ions. The first-principles molecular dynamics simulation of the electrochemical system has been hampered by the difficulty to describe the bias voltage and the complex solution-electrodedoi:10.1143/jpsj.77.024802 fatcat:p5u2znckjvbrdecbo75mmullwi