Quantum Chemistry of 2D Materials – S. Chandra

Our research group focuses on the study of quantum behavior in layered 2D materials, exploring their unique chemical and physical properties. Using advanced microscopic techniques, we investigate these materials at the atomic level to understand their fundamental behaviors and fabricate innovative nano-devices for next-generation applications. Our goal is to uncover novel quantum effects and chemical interactions in 2D layered materials, driving innovation in future technologies.

Layered 2D materials, serving as a bridge between chemistry and physics, offer immense potential due to their unique electronic and structural properties. Despite extensive research, the intricate interactions between individual layers remain a challenge to fully understand. Our research focuses on unraveling the complexities of interlayer coupling and electronic behavior through different exfoliation techniques, allowing us to manipulate these layers at the atomic level.

Heterostructures, both natural and artificial, are at the cutting edge of quantum chemistry research due to their complex layer interactions and tunable properties. By integrating materials like transition metal dichalcogenides (TMDs) or hexagonal boron nitride (hBN) with graphene, researchers can explore novel quantum effects such as tunable band gaps and excitonic behaviors. Building on this, our group focuses on the quantum chemistry of these complex heterostructures, with a particular emphasis on studying Misfit single crystals, a natural van der Waals heterostructure. Additionally, we investigate how gating, doping, and other external stimuli influence their quantum behavior, aiming to unlock new insights into their unique properties and potential applications.

Twisting 2D materials introduces fascinating new properties by altering their electronic interactions. In particular, twisted bilayer graphene has demonstrated groundbreaking phenomena such as superconductivity, showcasing how a simple twist can drastically change its quantum behavior. This discovery created a sensation in the scientific community, revealing how structural modifications can lead to remarkable quantum effects. Our group is focused on studying different twisted structures, aiming to uncover new insights into their quantum chemistry and electronic behaviors under various external stimuli, with a particular interest in the emerging field of twistronics.

We thank C. Pouss for all animations.