Research Highlights
Conceptualization: |Entropy-Ruled Method| |Quantum-Classical Transition Analogy| |Density of States Proportion| "Charge Disorder Variance principle on Electron-Hole Symmetry-to-Asymmetry Transport Transition"
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Dr. K. Navamani started his research from 2009 in the area of charge transport in the organic molecular solids using electronic structure calculations based on Ab initio and density functional theory (DFT) and tight binding Hamiltonian methods. He used the molecular dynamics (MD) and Monte-Carlo simulations (MC) methods to study the dynamic disorder effect on electron/hole kinetics in the extended molecular systems. During his Ph.D. (2009-2015), he (along with his Ph.D. guide Dr. K. Senthilkumar) developed few methods/formalism to explore the polaron transport in the molecular semiconductors, and also he observed some important corollaries/findings from his research. Few of the models/formalism are as, density flux model on hopping conductivity for disordered molecular solids (Navamani, et al., J. Phys. Chem. C, 2014, 118, 27754-27762), hypothetical expression of forth-back oscillated charge carrier’s diffusion coefficient to calculate mobility in the dynamical molecules (Navamani et al., Phys. Chem. Chem. Phys., 2015, 17, 17729-17738), and a few.
Later, he worked as the Post-Doctoral Fellow under Prof. Swapan K. Pati (S. S. Bhatnagar Awardee & JC Bose National Fellow) at Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore. During his Post-Doc. (2016-2020), he (with Prof. Swapan K. Pati) proposed multiscale modeling of charge transport (on the basis of “3-sets of analytical procedures”) and revisiting Einstein’s relation for molecular Semiconductors (Navamani et al., J. Chem. Phys., 2019, 151, 224301 and Navamani et al., RSC Adv., 2018, 8, 30021).
Now, he is working as the Associate Professor of Physics at KPR Institute of Engineering and Technology, Coimbatore. Recently, he proposed continuum time-delayed electron hopping model and the entropy-ruled method for Einstein D/μ relation for molecular semiconductors (K. Navamani, J. Phys. Commun., 2021, 5, 075012). Subsequently, he developed the modified Einstein relation for quantum materials/devices (K. Navamani, Europhysics Letters (EPL), 2021, 134, 47001), which is indeed ideal for advanced Semiconducting devices. Currently, he is interested in developing Einstein's diffusion-mobility relation via semiclassical many-body theory for universal quantum materials, thermoelectricity, electronic transport in quantum devices and modeling the resonance coupled Marcus Theory for molecular semiconductors. Importantly, he introduced a new electronic term "density of states (DOS) proportion" to study the mobility other extended electronic transport calculation in quantum and degenerate systems/devices of molecules and materials (K. Navamani, J. Phys. Chem. Lett., 2024, 15, 2519-2528 and J. Phys. Chem. Lett., 2025, 16, 8596-8612).
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