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Controlling HER activity and stability of - and 6,6,12-Graphyne through engineered B-N doping: DFT and Reactive MD simulations
Juan Gomez Quispe, Matheus Medina, Subhendu Mishra +3
Graphynes offer a chemically heterogeneous carbon framework with distinct electronic regimes and site-selective reactivity. Here, Density Functional Theory and Reactive…
Origin of Bright Quantum Emissions with High Debye-Waller factor in Silicon Nitride
Shibu Meher, Manoj Dey, Abhishek Kumar Singh
Silicon nitride has emerged as a promising photonic platform for integrated single-photon sources, yet the microscopic origin of the recently observed bright quantum emissions rema…
Persistence of Layer-Tolerant Defect Levels in ReS2
Nikhilesh Maity, Shibu Meher, Manoj Dey +1
Defects in two-dimensional (2D) semiconductors play a decisive role in determining their electronic, optical, catalytic and quantum properties. Understanding how defect energy leve…