Research

We design and develop new functional materials, interfaces and processes for applications in sustainable energy technologies. Such applications include carbon capture and utilization (absorption, adsorption and conversion through various routes), sustainable chemical transformations through catalysis (green ammonia production, small molecule oxidation, plastic/polymer reforming), production of sustainable fuels (solar fuels, green hydrogen, biofuels etc.), modular energy storage and conversion devices. We use a variety of energy sources (electrical, solar, thermal) to enable these processes and applications. The materials design is aided by an iterative feedback loop deriving from a deep understanding of structure-property-activity correlations. The structure, properties and functionalities of the materials are studied using a variety of regular and advanced characterization tools. Fundamental understanding of reaction pathways and dynamic changes of materials at bulk/interfaces during performance analysis (in-situ/operando studies) is pivotal to developing such correlations for enhancing performance. Experimental and computational routes (collaborative DFT, MD, multiphysics modeling, AI/ML) go hand-in-hand in developing these crucial insights for materials design rationales. A multiscale materials engineering approach (from atomic/molecular level to macroscale engineering) is adapted through a wide variety of synthesis and fabrication routes to cater to specific applications in the energy space. The materials scope we explore is quite diverse. Process intensification, device/reactor development is conducted to boost performance outcomes of these materials for applications at scale. The overall research space in our group is strongly interdisciplinary. Our broader goal is to solve critical bottlenecks in decarbonization, sustainable energy transition and circularity to achieve NetZero targets.

Carbon capture and utilization is critical for global energy transition, decarbonization and achieving NetZero targets. We design and develop multiscale materials and processes for capturing CO2 from from point sources and air (direct air capture) and converting them to value-added chemicals and fuels using different energy sources (electricity, light and heat) to close the carbon loop. The materials design is aided by an interative feedback loop deriving from a deep understanding of structure-property-activity correlations (combining in-situ/ex-situ experiments and theoretical studies). We are also working on developing ways to integrate capture and conversion to minimize energy and cost requirements associated with the decoupled process. The materials development invlove multiscale engineering from the atomic to macro level comprising single atom systems, molecular materials, defect/strain engineering, facet tuning, functionalization and coordination modulation, alloys/intermetallics, porous materials (pore structure engineering), 2D materials/confinement, nanocarbons etc. Design of solvents and electrolyte engineering is undertaken to enhance efficiencies of capture and conversion pathways. We study the kinetics and mechanisms of these processes in detail. A central strategy for the conversion routes is to modulate binding energy of key (selectivity determining) intermediates to steer the reaction pathway towards desired high-value carbon products selectively, efficiently and at industrially relevant rates.  Data driven approaches and high-throughput screening experiments are sought to navigate the materials/process design space efficiently. After materials and parametric optimization, we develop prototypes and upper-benchscale modules to catalyze translation of the developed CCU technologies. Emphasis is put on developing technologies for decarbonizing the hard-to-abate, oil and energy sectors.

Key research thrusts:

• CO2 capture: Adsorption/adsorptions, direct air capture

• CO2 conversion through different pathways (electro, photo/photo-electro, thermo, mineralization, other emerging routes)

• Integration of capture-caonverison and renewable energy integration

• Technology development and translation

We actively explore emerging reactions and modular molecular transformation for waste-to-wealth conversion and production of sustainable fuels and chemicals. 

Key focus areas include, green hydrogen production and distribution, ammonia/urea production, polymer/plastic recyling and  biomass valorization. The target is to make sustainable processes for producing key feedstocks for the chemical and fuel industries using renewable energy for decarbonizing this sector. We tend to use different energy sources catering to specific tranformation pathways. This vertical is aligned with the national and global clean energy goals, green hydrogen mission and Net Zero targets.

Key research thrusts:

1. Hydrogen economy (green hydrogen, methanol, NH3)

2. Sustainable aviation fuels

3. Plastics & polymers recycling

4. Biomass oxidation & biofuels