April 22 - 26, 2024
Seattle, Washington
May 7 - 9, 2024 (Virtual)

Event Supporters

2024 MRS Spring Meeting
MT02.09.02

Navigating Phase Diagram Complexity to Optimize The Robotic Synthesis of Battery Cathodes and Solid-State Electrolytes

When and Where

Apr 25, 2024
8:30am - 8:45am
Room 321, Level 3, Summit

Presenter(s)

Co-Author(s)

Jiadong Chen1,Wenhao Sun1

University of Michigan1

Abstract

Jiadong Chen1,Wenhao Sun1

University of Michigan1
There are a plethora of computationally-predicted battery 'wonder' materials, but only a limited number of them can be successfully synthesized. Efficient synthesis recipes are essential to accelerate the realization and manufacturing of theoretically-predicted electrodes. Oftentimes the solid-state synthesis of multicomponent oxide electrodes is impeded by undesired byproduct phases, which can kinetically trap reactions in an incomplete non-equilibrium state. We present a thermodynamic strategy to navigate high-dimensional phase diagrams in search of precursors that circumvent low-energy competing byproducts, while maximizing the reaction energy to drive fast phase transformation kinetics. Using a robotic inorganic synthesis laboratory, we perform a large-scale experimental validation of our precursor selection principles. For a set of 35 target quaternary oxides with chemistries representative of intercalation battery cathodes and solid-state electrolytes, we perform 224 reactions spanning 27 elements with 28 unique precursors. Our predicted precursors frequently yield target materials with higher phase purity than when starting from traditional precursors. Robotic laboratories offer an exciting new platform for data-driven experimental synthesis science, from which we can develop new fundamental insights to guide both human and robotic chemists.

Keywords

chemical reaction | chemical synthesis

Symposium Organizers

Alejandro Franco, Universite de Picardie Jules Verne
Deyu Lu, Brookhaven National Laboratory
Dee Strand, Wildcat Discovery Technologies
Feng Wang, Argonne National Laboratory

Symposium Support

Silver
PRX Energy

Session Chairs

Eva Allen
Feng Wang

In this Session