Tag Archives: Maria Javaid

Exploring small-sized nanoflakes

29 August 2017:

Size-dependent structural and electronic properties of MoSmonolayer nanoflakes, of sizes up to 2nm, have been investigated by CNBP researchers using density-functional theory (DFT). The paper, published in Scientific Reports is accessible online.

Journal: Scientific Reports.

Publication title: A study of size-dependent properties of MoSmonolayer nanoflakes using density-functional theory.

Authors: M. Javaid (pictured), Daniel W. Drumm, Salvy P. Russo & Andrew D. Greentree.

Abstract: Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS2 monolayer rhombic nanoflakes using density-functional theory on structures of size up to Mo35S70 (1.74 nm). We investigate the structural and electronic properties as functions of the lateral size of the nanoflakes, finding zigzag is the most stable edge configuration, and that increasing size is accompanied by greater stability. We also investigate passivation of the structures to explore realistic settings, finding increased HOMO-LUMO gaps and energetic stability. Understanding the size-dependent properties will inform efforts to engineer electronic structures at the nano-scale.

New PhD student at RMIT Uni node

16 December 2016:

CNBP’s RMIT University node welcomes new PhD student Maria Javaid to the team.

Maria has a MPhil from the University of Sargodha, Pakistan and her background is in exploring the transport properties of graphene.

Here Maria will be searching for new fluorescent biomarkers based on 2d materials. She will be supervised by CNBP Chief Investigator Andy Greentree and CNBP Research Fellow Daniel Drumm.

A big CNBP welcome to you Maria!