Background Gradient

Bringing order to disordered materials-an NMR crystallography approach

The research interests of the Brijith Thomas lab are in the methodology development in NMR crystallography by incorporating DNP Solid state NMR, electron diffraction data along with XRD, and DFT calculations.

Developing NMR methodology to understand the mechanism of heterogeneous catalysis

 Mitigating atmospheric carbon dioxide concentrations is crucial because elevated CO₂ levels drive climate change by enhancing the greenhouse effect, leading to global warming, extreme weather events, ocean acidification, loss of biodiversity, and significant socio-economic and health challenges for ecosystems and human populations. The necessity to reduce atmospheric carbon dioxide levels has led to the creation of novel materials designed to effectively capture and convert CO₂ using carbon capture and utilization methods. A diverse array of materials such as metal-organic frameworks, covalent organic frame works, porous carbons, zeolites and amine functionalized silica has been reported for efficient carbon dioxide capture. Notably, amine-functionalized silica has emerged as one of the most extensively studied materials in the field of carbon dioxide capture. Solid-state NMR is inevitable for analyzing amine-based silica adsorbents as it provides detailed, non-destructive molecular insights into structure, interactions, and adsorption mechanisms that conventional techniques like infrared spectroscopy and Brunauer–Emmett–Teller (BET) method have limitations. Our group is currently investigating the adsorption mechanism of CO₂ on silica, focusing on two primary questions: i) Spectroscopic evidence regarding the interaction mechanism between the amine and hydroxyl groups on silica pores. ii) Spectroscopic evidence for the mechanisms of carbonate or bicarbonate species formation in the absence and presence of H₂O. We are currently setting up the lab for the same purpose and have obtained initial solid-state NMR results. In summary, our research employs solid-state NMR to address critical challenges in material science, energy and global climate issues, fostering innovations and deeper understanding.

We do have regular access to the core technology platform which hosts various instruments as mentioned below

600 MHz DNP-NMR spectrometer

EPR/ESR spectrometer

Scanning electron microscope

Transmission electron microscope

X-ray powder diffraction

High performance computing facilities with more than 12,000 computing cores and a peak performance of 400 TFLOPS.