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cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2025
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…