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Publications (21)
- Exploring Cu and Zn doping motifs in black phosphorene via first-principles methods for nanocarrier development Save
- Interfacial Band Engineering for Enhanced Thermoelectric Performance in GaN/WSeTe van der Waals Heterostructures: A DFT-NEGF Study Save
- Bioengineered Silicon-Doped Graphdiyne Conjugated with Amino Acid Derivatives for Levodopa Delivery: A DFT-Based Nanoplatform Save
- Tuning Interfacial Phonon Transport in GaN/WSSe van der Waals Heterostructure toward High-Efficiency Thermoelectric Performance Save
- Theoretical exploration of enhanced thermoelectric performance in GaN/WSTe vdW heterostructures: DFT + NEGF study Save
- DFT insight into tuning electron–phonon transmission and thermoelectric transport in nanoscale GeTe devices: effects of Sb substitutional doping Save
- Tailored surface functionalization of AlN nanotubes for 5-fluorouracil adsorption and encapsulation: a first-principles and molecular dynamics study Save
- Vacancy-induced modulation of boron phosphide nanosheets for enhanced gas sensing: A DFT + NEGF investigation Save
- Tailoring electronic and optical properties in MoSSe/WSTe van der waals heterostructures for high-efficiency photonic devices: A first-principle study Save
- Effect of C & Si decoration on the Boron Phosphide (BP) nanosheets for gas sensing applications – A first principles investigation Save