STUDYING AND TUNING NOVEL PROPERTIES OF 2D MATERIALS
Mushtaq Muhammad
内容简介：Two dimensional (2D) materials have become popular in the research and industrial community due to their intriguing properties and potential applications in modern technologies. Much attention has be devoted in understanding the basic properties of these systems as well as exploration of new 2D systems. However, the field of 2D materials is still away from fully developed as many of the aspects regarding the intriguing nature of the 2D systems and their integration into the nanodevices is not well understood so far. In this study, by employing density functional theory, comprehensive simulations we performed on single layer 2D materials of various layered compounds including nickel-dihalides NiX2 (X = Cl and Br), elemental arsenic (As), antimony (Sb) and phosphorous (P). For 2D NiCl2 and NiBr2, we mainly considered their structural, electronic and magnetic properties with and without strains. Next, nanohole method was used to tune the electronic and magnetic properties of arsenene, antimonene and phosphorene. The stability of these structures with nanohole was examined with and without hydrogen passivation of nanohole edges and corners. Finally, electron irradiation was used to fabricate the defects in the arsenene. The structural response of arsenene to electron irradiation was analyzed with the help of displacement vs electron kinetic energy plots. We hope that our studies could pave the way to establish a microscopic understanding of the interesting phenomena observed in these novel 2D systems.
Brief Introduction: I am a PhD student at “School of Physics” of University of Electronic Science and Technology of China. My major is Physics and research supervisor is professor Xia Xiang. We are working on the study of two-dimensional materials with density functional theory method. So far, we have published one SCI rank-2 paper in the journal of ‘Royal Society of Chemistry’ and second SCI paper is accepted in March-2018 in the Journal of Physics Condensed Matter. Besides, I have presented one conference paper with the title of ‘Defect Production in Buckled Arsenene Under Electron Irradiation: Ab Initio Molecular Dynamics Study’ in the 3rd international workshop on lasers and ion beams interactions with materials ((2017 LIBIM).
报 告时 间： 2018年05月02日 15:00
报 告地 点： 物理学院会议室（科研楼219）
主 持 人： 向 霞 教授
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