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My work broadly revolves around two themes: understanding intriguing fundamental material properties, fueled by curiosity, and designing materials for targeted applications, driven by technology. I am particularly interested in materials for optoelectronic and energy applications.
Curiosity driven: Emergent phenomena in quantum materials.
Technology driven: Energy materials for a sustainable future
Design of excitons: Excitons - bound electron-hole pairs - dominate the optical response of van der Waals heterostructures. We pioneered an efficient and accurate method to solve the Bethe-Salpeter equation for modelling them in complex materials where conventional first-principles approaches fail. Our approach captures exciton behavior in moiré superlattices with meV accuracy - achieving quantitative agreement with experiment for the first time. See our works at Nano Letters, NPJ 2D Materials & Apps., and Nature Physics.
Discovery of phasons: Phasons - sound-wave-like collective excitations - were first identified in quasicrystals in the 1980s. We discovered that they emerge universally in moiré materials, a far more accessible and tunable platform. We further revealed that electrons can "surf" on these vibrations, coherently amplifying electron-phonon coupling and opening new pathways for quantum transport. See our works at Phys. Rev. Research, ACS Nano, and Nano Letters.
Probing ultrafast phenomena : Ultrafast phenomena - processes unfolding in picoseconds or faster - reveal how materials respond to light in real time. Through collaborations with world-class experimentalists, we uncovered how laser-excited electrons couple to breathing phonons, driving dynamic structural changes in van der Waals heterostructures. See our works at Nature and Phys. Rev. B Rapid Communications.
Degradation and redox in Li-ion batteries: Oxygen-redox - where oxygen ions contribute to charge storage - promises higher energy density but accelerates battery degradation. We are unraveling the atomic-scale mechanisms behind this trade-off in industrial cathodes like NMC811 and LiNiO₂, combining first-principles simulations, machine-learned potentials, and X-ray absorption spectroscopy. (Ongoing work)
Balancing stability and performance in perovskites: Perovskites - semiconductors with exceptional light-harvesting properties - are transforming solar cells and LEDs, but stability remains a challenge. We are investigating 3D/2D interfaces to understand how atomic structure influences optoelectronic properties and long-term stability. (Ongoing work)
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