4 papers
Defect configuration, not nitrogen content, governs the mechanical integrity of nitrogen-doped graphene: a molecular dynamics study
Indranil Rudra, Jahid Emon, A. K. M. Monjur Morshed
The mechanical reliability of nitrogen-doped graphene is often attributed to its nitrogen content, yet nitrogen occurs in chemically distinct configurations whose individual mechan…
Peripheral Nitrogen Topology as a Defect-Chemical Switch for Electronic and Magnetic States in Graphene: A First-Principles Study of Pyridinic, Pyridazinic, Pyrrolic, and Pyrazolic Configurations
Md. Moktadir Billah Tahmid, Indranil Rudra, Jahid Emon +1
Defect and heteroatom engineering offer powerful routes for tuning the electronic and magnetic properties of graphene, yet the role of specific peripheral nitrogen topologies aroun…
Scaling Laws Governing Droplet Spreading and Merging Dynamics on Solid Surfaces: A Molecular Simulation Study
Ertiza Hossain Shopnil, Jahid Emon, Md Nadeem Azad +1
This study employs molecular dynamics simulations to investigate droplet dynamics when a stationary droplet on a solid surface is struck by another droplet of similar size from abo…
Impact of Nitrogen Atom Clusters and Vacancy Defects on Graphene: A Molecular Dynamics Investigation
Indranil Rudra, Md. Moktadir Billah Tahmid, Jahid Emon +1
Graphene's exceptional mechanical properties are crucial for its integration into advanced technological applications. However, real-world synthesis and functionalization processes…