A Combined First Principles and Grand Canonical Monte Carlo Approach to Understand Sodium (De)-Intercalation in O3 and P2 Type Na_xRhO₂Systems

Dec 8, 2021
11:30am - 11:35am

EN12-Virtual

Swapan Pati

Madhulika Mazumder¹,Abhiroop Lahiri¹,Swapan Pati¹

JNCASR (Jawaharlal Nehru Centre for Advanced Scientific Research)¹

Weiyang Li, Dartmouth College

Dominic Bresser, Karlsruhe Institute of Technology

Seok Woo Lee, Nanyang Technological University

Xiaolin Li, Pacific Northwest National Laboratory

Seok Woo Lee

A Combined First Principles and Grand Canonical Monte Carlo Approach to Understand Sodium (De)-Intercalation in O3 and P2 Type NaxRhO2 Systems