Title:	Unraveling the role of 2D materials for energy applications
DNr:	SNIC 2019/3-315
Project Type:	SNIC Medium Compute
Principal Investigator:	Naresh Jena <jenanaresh@gmail.com>
Affiliation:	Uppsala universitet
Duration:	2019-06-01 – 2020-06-01
Classification:	10304 10403 10407
Homepage:	http://katalog.uu.se/empinfo/?id=N15-1665
Keywords:

Abstract

Over the last few years, our own research has focused on the computational investigations on 2D materials and consolidated our understanding in terms of their basic electronic structure and finding out their potential for a wide-array of applications. This includes sensing, DNA sequencing, molecular electronics and above all in energy storage and harvesting. With this background, the scope of the present proposal envisages to further enhance our understanding on the energy harvesting/storage applications of 2D materials. As a continuation of our previous allocated project (SNIC 2018/3-281), herein we want to put more emphasis on the energy related aspect of 2D materials. Just to mention briefly about our noteworthy achievements under the purview of the previous SNIC project, we managed to publish several papers viz. Physical Chemistry Chemical Physics 20 (34), 22008-22016; Physical Chemistry Chemical Physics 20 (35), 22952-22960; ACS Applied Energy Materials 1 (8), 3571-3576; Nano Energy 58, 877-885 etc.) where we explored different 2D materials such as borophene, borophane and MXenes with a prime focus on energy. To be specific, we have predicted few 2D electrodes that can be used in rechargeable batteries and likely to enhance their performance. Some of our computational findings, has been recently backed by subsequent experimental reports, encouraging our scientific efforts. Therefore, we want to further continue along this direction where our objective will be centered around energy applications. However, the fundamental aspects of 2D materials will also be our secondary focus.