9 papers
Geometry-based Discovery of Calcium Battery Cathodes Accelerated by Foundational Machine-Learned Models
Dereje Bekele Tekliye, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam
Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization o…
Exploring Multi-Transition-Metal NASICON Frameworks as High-Performance Cathodes for Sodium-Ion Batteries
Santosh Behara, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam
The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To ide…
Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
Hengning Chen, Zeyu Deng, Gopalakrishnan Sai Gautam +2
Lithium niobate-tantalate mixtures have garnered considerable interest for their ability to merge the desirable properties of both end members, enabling diverse high-value applicat…
Experimental and Computational Demonstration of a Highly Stable, in-situ Pt Decorated Sputtered ZnO Hydrogen Sensor for sub-ppm Level Detection
Puja Ghosh, Pritam Ghosh, Rizwin Khanam +7
In this work, we present a Pt decorated ZnO thin film-based gas sensor for hydrogen detection, fabricated using a sputtering technique and an in-situ Pt decoration approach. Specif…
A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials
Reshma Devi, Avaneesh Balasubramanian, Keith T. Butler +1
The rate performance of any electrode or solid electrolyte material used in a battery is critically dependent on the migration barrier () governing the motion of the intercala…
Leveraging transfer learning for accurate estimation of ionic migration barriers in solids
Reshma Devi, Keith T. Butler, Gopalakrishnan Sai Gautam
Ionic mobility determines the rate performance of several applications, such as batteries, fuel cells, and electrochemical sensors and is exponentially dependent on the migration b…