Biography
Dr Debayan Mondal is a computational chemist with a knack for uncovering the hidden secrets of materials—whether it’s electrifying single-atom magnets on oxide surfaces or decoding the curious behavior of hybrid perovskites. His expertise spans density functional theory (DFT), quantum transport, surface chemistry, and energy harvesting, allowing him to bridge the atomic scale with real-world applications.
Dr Mondal has published widely on topics ranging from energy materials and catalysis to low-dimensional quantum transport. In 2025, he joined the University of Oxford as a Postdoctoral Research Assistant, where he applies his theoretical toolkit to triboelectric nanogenerators and novel framework materials. At Oxford, he continues to push the boundaries of material innovation—proving that good materials aren’t just discovered, they’re designed.
Current Research Projects
Triboelectric Nanogenerators Based on Novel Framework Materials - Computational Studies: This project explores triboelectric nanogenerators based on novel framework materials through advanced computational studies, focusing on their electronic, magnetic, structural, optical, and mechanical properties.
Using DFT and MD simulations
Research Interests
- Triboelectric Nanogenerators Based on Novel Framework Materials - Computational Studies
- Theoretical Condensed Matter Physics.
- Electronic, Magnetic, Structural, Optical and Mechanical Properties of System.
- Electronic and Structural properties of Hybrid-Perovsikites and 2D Perovskites.
- Density Functional Theory, MD-Simulations
- Crystal growth and stability analysis.
- Electronic transport of hybrid systems (organic-inorganic)
- Single Molecular Junction
- Single Atom Catalyst
- Calculation of various spectral functions
