ADANA
Autonomous agents of Discovery for earth-Abundant Na-ion battery cathodes.
About the project
ADANA project aims to accelerate the green transition by developing scalable sodium-ion battery (NIB) technology with a long cycle life by addressing the challenge of structural stability in NIB cathodes made from earth-abundant elements.
A radical chemistry-aware data-driven high throughput screening workflow will be employed.
We will explore the complex phase space of multicomponent layered oxides. The objective is to identify commercially viable NIB cathodes using inexpensive and noncritical transition metals like Mn and Fe.
To create a new kind of high throughput screening, we will bridge the gap between physics-based simulations and data-driven surrogates, creating autonomous agents to solve structures and perform accelerated simulations.
We will use explainable machine learning to gain scientific insights into redox processes and crystal instabilities. The hypothesis is compositionally complex earth-abundant NIB cathodes can provide long cycle life stability and high capacity.
Type of project
DFF-Research Project 1
Partners
Section members involved in the project
Contact: Arghya Bhowmik
Arghya Bhowmik Associate Professor Department of Energy Conversion and Storage Mobile: +45 31844747 arbh@dtu.dk
Diptendu Roy Postdoc Department of Energy Conversion and Storage dipro@dtu.dk
Dorthe Ravnsbæk Professor Aarhus University, Department of Chemistry Phone: +45 93522528 dorthe@chem.au.dk