Symposium CH02-Recent Advancements in Characterization and Modeling of Electrochemical Interfaces

This symposium covers recent progress in in-situ/operando characterizations of electrochemical interfaces and advancements in multiscale modeling and simulations that move beyond idealized systems to understand the atomic origins of macroscopic behaviors in real electrochemical devices. A strong emphasis is placed on the integration between modeling and characterization to understand the fundamental processes, key chemistry and structural features that dictate the performance of electrochemical interfaces. The first part of the symposium focuses on experimental characterization techniques as well as novel cell designs to enable characterization and elucidation of buried electrochemical interfaces, with special emphasis on the development of in-situ/operando characterization techniques and multimodal approaches to probe solid-gas, solid-liquid and solid-solid interfaces that are relevant in rechargeable batteries, fuel cells, electrolysis, and electro deposition processes. The second part of the symposium focuses on modeling of electrochemical interface using techniques such as density functional theory, molecular dynamics, microkinetic modeling, phase field, continuum modeling, and emerging machine learning-based methodologies. A key emphasis is placed on multiscale modeling approaches that can overcome the specific time- and length-scale limitations of individual simulation methods and integrations between modeling and characterization to resolve the structure-properties relationship at the electrochemical interfaces. The contributions address basic scientific challenges, demonstrate new multimodal characterization and multiscale modeling techniques, identify limiting factors, and advise mitigation strategies for interface engineering. Examples of how these approaches have contributed to the fundamental understanding of various interfacial physico-chemical processes and their effects on overall device performance, as well as how this understanding can be directly applied to design more efficient and durable electrochemical interfaces, are particularly welcome.

Topics will include:

Integrated characterization and modeling approaches
Addressing electro-chemo-mechanical coupling at electrochemical interfaces from multiscale modeling
Electrochemical deposition and corrosion
High-energy-density Li batteries and solid-state batteries
Understanding interfacial evolution during electrochemical cycling
Advancements in in situ/operando characterization techniques
Electrocatalysis, including CO2 reduction and water electrolysis

Invited Speakers:

Anja Bieberle (Dutch Institute for Fundamental Energy Research, Netherlands)
Long-Qing Chen (The Pennsylvania State University, USA)
Jun Cheng (Xiamen University, China)
Kyung Yoon Chung (Korea Institute of Science and Technology, Republic of Korea)
Beatriz Roldán Cuenya (Fritz Haber Institute of the Max Planck Society, Germany)
Nikita Dutta (National Renewable Energy Laboratory, USA)
Alejandro Franco (Université de Picardie Jules Verne, France)
Edwin Garcia (Purdue University, USA)
Robert Kostecki (Lawrence Berkeley National Laboratory, USA)
Ulrike Krewer (Karlsruhe Institute of Technology, Germany)
Kevin Leung (Sandia National Laboratories, USA)
Ju Li (Massachusetts Institute of Technology, USA)
Y. Shirley Meng (The University of Chicago, USA)
Yue Qi (Brown University, USA)
Kenneth Takeuchi (Stony Brook University, The State University of New York, USA)
Michael Toney (University of Colorado Boulder, USA)
Anton Van der Ven (University of California, Santa Barbara, USA)
Chongmin Wang (Pacific Northwest National Laboratory, USA)
Johanna Nelson Weker (SLAC National Accelerator Laboratory, USA)