Skip to main content

Juan C Garcia

Postdoctoral Appointee

Dr. Juan Garcia is an expert in molecular and multi-scale modeling of materials

Biography

Juan Garcia is a postdoctoral appointee in the Molecular Materials Group in the Materials Science Division. He is a chemical engineer by training and got a PhD on computational chemistry at Worcester Polytechnic Institute in 2014. His research interest includes multiscale modeling, high performance computing and software development. Before joining Argonne, he worked as a postdoctoral researcher at the Technical University of Eindoven in the Netherlands. In Argonne, he works on the molecular modeling of Li-ion battery materials with the goal of enable high energy and high voltage systems.

Awards

 

2017 Postdoctoral Performance Award. The award recognizes exceptional performance in the areas of basic research, engineering research and applied research.

2017 Postdoctoral Performance Award. The award recognizes exceptional performance in the areas of basic research, engineering research and applied research. Dr. Garcia supports High Energy and High Voltage, a high-visibility DOE project aiming to develop next-generation lithium-ion couples capable of meeting DOE targets for transportation applications. Dr. García is described as a natural leader, often sought out by other postdocs for advice and guidance”.

 

 

Highlights

Here are pickled electrolyte molecules (PF2OSiMe3) binding to reaction centers on the cathode surface. For the ball-and-stick molecules attached to cathode surface, olive green indicates phosphorus ℗; purple, fluorine (F); red, oxygen (O); and structure above oxygen, SiMe3. (Image by Argonne Natio

The paper Chemical Pickling” of Phosphite Additives Mitigates Impedance Rise in Li Ion Batteries has been highligted in several media outlets (phys​.org, NERSC, Argonne today). In this work, we used computer simulations to help reveal the mechanism behind a common additive known to extend the life of lithium-ion batteries. At its heart is a chemical reaction similar to pickling.