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Shrabanti Mondal on Muck Rack

Shrabanti Mondal

As seen in: ACS Publications
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Articles

Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation Click to copy article link Article link copied!

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By Uttam Chowdhury, Shrabanti Mondal, Subhajit Dey
| ACS Publications
Abstract Click to copy section linkSection link copied! Covalent functionalization offers a versatile platform to engineer carbon nanotube properties for optoelectronics applications. We demonstrate by atomistic quantum dynamics simulation that covalent functionalization can renormalize the CNT band gap, split the degenerate CNT band edge states, and strongly influence charge carrier separation and recombination dynamics.
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Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics Simulation Click to copy article link Article link copied!

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By Uttam Chowdhury, Shrabanti Mondal, Subhajit Dey
| dx.doi.org
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Hard–Soft Acid–Base Theory Explains Photoexcited Carrier Dynamics in Porphyrin/CNT Nanohybrids: Time-Domain Atomistic Analysis

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By Uttam Chowdhury, Shrabanti Mondal, Subhajit Dey, Ritabrata Sarkar
| dx.doi.org
Introduction Click to copy section linkSection link copied! Fossil fuels emit greenhouse gases in the environment, causing global warming, pollution, and other societal problems. (1) Solar energy provides an excellent alternative to overcome this critical issue. (2) A photovoltaic cell is required to have fast photoinduced charge transfer and delayed electron–hole (e-h) recombination in order to convert solar radiation into electricity efficiently.
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