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?
Thanks to Andrew Akbashev and all for having uploaded this great talk
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?