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Publications (24)
- Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation Save
- Quantum simulation of carrier dynamics in nanographene-fused carbaporphyrin tweezers@C60 heterojunctions: role of dihedral-angle engineering Save
- Control of Charge Separation and Nonradiative Recombination in Host–Guest Azabuckybowl@C60 by Tweezer Linker Substitutions Save
- Hard–Soft Acid–Base Theory Explains Photoexcited Carrier Dynamics in Porphyrin/CNT Nanohybrids: Time-Domain Atomistic Analysis Save
- Electron–Hole Recombination Is Suppressed by Breaking the Ring Planarity in Porphyrin Nanorings: Density Functional Atomistic Simulation Save
- Quantum Dynamics of Charge Carriers in Fullerenes Encapsulated by Covalent Organic Polyhedra: Choice of Fullerene Matters Save
- Controlling the Charge Carrier Dynamics of o-B2N2 Monolayer through Pnictogen Family Atoms Doping Save
- Emergence of Z-Scheme Photocatalysis for Total Water Splitting: An Improvised Route to High Efficiency Save
- Prolonged Exciton Lifetime Is Achieved in Porphyrin Nanoring by Template Engineering: A Nonadiabatic Tight Binding Approach Save
- Controlling Charge Carrier Dynamics in Porphyrin Nanorings by Optically Active Templates Save