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22. Prof. Wolfgang Schmickler - The Double Layer at the Metal/Solution Interface

Full title: The Double Layer at the Metal/Solution Interface Speaker: Prof. Wolfgang Schmickler (Institute of Theoretical Chemistry, Ulm University, Germany) First Part: 00:00 - Introduction 03:02 - Beginning of the talk 10:41 - Incorrect double layer models 25:15 - Helmholtz capacity and Parsons&Zobel plot 28:45 - Role of weak adsorption 37:55 - Improvements of Gouy-Chapman theory and DFT 56:20 - Jellium model and capacity First Q&A: 1:04:01 - Q1: Image charge 1:06:10 - Q2: How PZC is related to open circuit potential 1:07:40 - Q3: Protons near the electrode 1:10:25 - Q4: Interaction between Pt and cations 1:16:08 - Q5: Concentrated electrolytes Second Part: 1:17:20 - DFT + hard spheres 1:23:00 - Integral equation techniques and RISM 1:26:27 - Molecular dynamics simulations 1:32:00 - Potential of mean force (pmf) 1:41:55 - Dynamics of the double layer 1:52:52 - Latest development in QM/MM 1:55:52 - Special topics: Nanoslits and Nanopores 1:58:05 - Special topics: Ionic Liquids 1:58:57 - Special topics: Liquid-liquid interfaces 2:01:22 - Conclusions and advice 2:06:46 - Literature Second Q&A: 2:08:48 - Q6: Proton tunneling 2:11:20 - Q7: Size of a water cluster used in calculations 2:12:17 - Q8: Protons at the metal surface 2:14:16 - Q9: Charges for the H+/graphene system 2:16:21 - Q10: O2RR: Inner- and out-sphere mechanisms 2:17:47 - Q11: Validity of local dielectric permittivity 2:20:58 - Q12: Sensitivity of PMF to force fields parametrization 2:22:41 - Q13: Semiconductor-electrolyte interfaces 2:24:48 - Q14: Explicit vs Implicit solvent model 2:27:38 - Q15: Charged intermediates at the surface 2:29:10 - Q16: What is missing from experimentalists for the theory? https://www.electrochemicalcolloquium... #chemistry #theory #physics Abstract:  The double layer is the heart of an electrochemical cell, where all reactions occur. Therefore it has been the subject of research for more than a century. In this presentation I will review the most popular models, start with Helmholtz’s work, explain the shortages of the Gouy-Chapman-Stern model, and pass to the results of recent theories and simulations. While the focus is on theory, I will also discuss experiments that shed light on the double layer structure.