Programme

P.29 -- Poster, ANSWCCMS-2023

Date: Tuesday, 7 November 2023

Time: 13:00 - 14:30

A Systematic Investigation of MBene Anodes for Metal Ion Batteries: A First-Principles Study

Lappawat Ngamwongwan (1), Maneerat Chotsawat (2)‪, Ittipon Fongkaew (1),‬ Anchalee Junkaew (3), and Suwit Suthirakun (2)‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬‬

(1) School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima, 30000, Thailand (2) School of Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima, 30000, Thailand (3) National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), 111 Thailand Science Park, Pathum Thani, 12120, Thailand

The search for better materials as electrodes of rechargeable batteries has been a long-standing effort. Transition metal borides (MBenes) are a new kind of 2D material with high surface area and intrinsic conductivity that could be useful for battery application. According to the diversity of transition metal and phase of MBenes, a rational design of MBenes based anode for metal-ion batteries is interesting. In our study, we screened various MBenes with different transition metal species and in four different phases including orthorhombic, hexagonal, trigonal, and tetragonal for potential candidates of metal-ion batteries. We used periodic model calculations based on density functional theory (DFT) to investigate their stability and metal-ion adsorption process as implied to their anode properties. Our discoveries may give useful information about how to design better batteries using MBenes.

Presenter: Ngamwongwan Lappawat