Computational Nanomaterials Laboratory
The Computational Nanomaterials Lab, under the leadership of Md. Sherajul Islam,
works with matter at the smallest sizes to produce materials that have emergent characteristics,
which are characterized by new and sometimes unexpected traits resulting from the interactions
of numerous entities. We create technologies that improve the quality of human life in the areas of health,
energy, sensory augmentation, and self-expression by synthesizing, assembling,
combining, and arranging nanoscale building pieces.
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Research
Our research group focuses on atomistic modeling of nanomaterials using density functional theory, molecular dynamics, and machine learning. Our group has contributed significantly to the design and development of novel nanomaterials for nanoelectronic, energy, and quantum information science applications.
At present, our group is working on the following research areas:
Nano energy harvesting using 2D materials based technology
Exploring the growth mechanism of novel 2D materials
Developing and characterization of new nanomaterials for water desalination
Developing quantum materials capable of allowing solid-state quantum computing
Developing novel self-healing polymeric-materials for aerospace applications
Our Team
Name: Md. Sherajul Islam
Role: Principal Investigator
Name: Abu Syed Md. Jannatul Islam
Role: PhD Student
Name: Md. Mosarof Hossain Sarkar
Role: Research Associate
Name: Ashraful Hossain Howlader
Role: Graduated
Name: Md. Rasidul Islam
Role: Graduated
Name: Md. Masud Rana
Role: Graduated
Name: Md. Masud Rana
Role: Graduated
Name: Naim Ferdous
Role: Graduated
Name: Shihab Ahammed
Role: Graduated
Name: Shifa Khatun
Role: Graduated
Publications
Most recent publications from our lab.
Title: Growth mechanisms of monolayer hexagonal boron nitride (h-BN) on metal surfaces: theoretical perspectives
Authors: Md. Sherajul Islam et al., Nanoscale Advances
Date: July 2023
Title: Tribo-piezoelectricity in group III nitride bilayers: A density functional theory investigation
Authors: Y. Zamil and Md. Sherajul Islam et al., ACS Appl. Mater. Interface
Date: May 2022
Title: Superior tunable photocatalytic properties for water splitting in two dimensional GeC/SiC van der Waals heterobilayers
Authors: M. R. Islam and Md. Sherajul Islam et al., Scientific reports
Date: September 2021
Title: Exceptional in-plane and interfacial thermal transport in graphene/2D-SiC van der Waals heterostructures
Authors: Md. Sherajul Islam et al., Scientific Reports
Date: December 2020
Title: Tunable electronic properties in stanene and two dimensional silicon-carbide heterobilayer: A first principles investigation
Authors: N. Ferdous and Md. Sherajul Islam et al., AIP Adv.
Date: December 2019