Photoinduced Carrier Dynamics in CNT Nanohybrid
An Insight from DFTB-NAMD
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With increasing energy demands, the fundamental challenge is the development of efficient materials for harvesting solar energy. Over the last two decades, carbon nanotube (CNT) nanohybrids evolved as potential photovoltaic materials. Rigorous efforts have been made by scientists to explore the underlying photophysics from experiment and theoretical perspectives. In this book, photoactive different CNT nanohybrids are investigated by employing an efficient nonadiabatic molecular dynamics (NAMD) approach within the tight binding framework. Through sophisticated computational simulations and the...
With increasing energy demands, the fundamental challenge is the development of efficient materials for harvesting solar energy. Over the last two decades, carbon nanotube (CNT) nanohybrids evolved as potential photovoltaic materials. Rigorous efforts have been made by scientists to explore the underlying photophysics from experiment and theoretical perspectives. In this book, photoactive different CNT nanohybrids are investigated by employing an efficient nonadiabatic molecular dynamics (NAMD) approach within the tight binding framework. Through sophisticated computational simulations and theoretical frameworks, this book delves into the transient dynamics of CNTs upon photoexcitation, shedding light on fundamental processes such as charge transfer and exciton recombination that govern photoconversion. The carrier dynamics are driven by the nonadiabatic coupling and quantum coherence between the pair of electronic states. Noncovalent nanocomposites of CNT with different molecules are designed, simulated, and intensely investigated to improve as efficient photoactive materials. By unraveling the factors of exciton dynamics to elucidating the mechanisms of charge transport, this book offers a comprehensive insight into the nonadiabatic phenomena that govern CNTs' remarkable properties. A must-read for researchers, students, and enthusiasts alike, "Photoinduced Carrier Dynamics in CNT Nanohybrid " is a captivating journey into the frontier of nanoscience, promising to inspire and inform the next generation of discoveries.
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