MD-Lab @ CSIR-IIP

Catalyst Design: Engineering Efficiency

The heart of our research lies in the meticulous design and optimization of catalysts. We focus on two main strategies to significantly enhance catalytic activity:

Increasing the Number of Active Sites: This involves maximizing the effective surface area of our catalysts. We achieve this by strategies such as raising the catalyst loading or optimizing the material's structure to expose more active sites per gram of catalyst. More active sites mean more opportunities for reactions to occur.
Enhancing the Intrinsic Activity of Each Individual Active Site: Beyond simply increasing the number of sites, we delve into the fundamental properties of each active site to boost its inherent efficiency. This involves fine-tuning the electronic and structural properties of the catalyst to facilitate faster and more selective reactions.

These strategies are not mutually exclusive and, when combined, can yield the most significant improvements in catalytic performance. Our work in this area involves advanced material synthesis, characterization, and computational modeling to precisely engineer catalysts at the atomic level.

Hydrogen / Oxygen Evolution Reaction (HER/OER): Fueling the Future

Hydrogen (H2) is a key chemical with a wide range of applications, including in the production of ammonia-based fertilizers, as a clean energy carrier, and in various industrial processes. Electrochemical water splitting, when powered by renewable energy sources such as wind or solar, offers a promising sustainable method for hydrogen production, moving us away from fossil fuel-dependent methods.

While platinum (Pt) remains the most efficient catalyst for the Hydrogen Evolution Reaction (HER), its high cost and limited availability pose significant barriers to large-scale adoption. To address this, our research is actively exploring various non-precious metal catalysts. We have identified transition metal sulfides and phosphides as particularly promising materials, showing strong HER/OER activity and serving as viable alternatives to costly noble metals.

Elucidating Fundamental Reaction Mechanisms

We investigate the underlying reaction pathways, intermediates, and catalyst–electrolyte interactions to understand how and why catalytic reactions proceed. By uncovering these fundamental principles, we aim to establish structure–activity relationships that guide the rational design of catalysts and translate mechanistic insights into more efficient, selective, and practically viable solutions.

CO2 Reduction Reaction: Closing the Carbon Loop

The rising concentration of atmospheric CO2 is a critical global challenge. The conversion of CO2 into valuable chemical feedstocks and high-energy-density liquid fuels, through either electrochemical or thermochemical processes, presents a vast and largely untapped opportunity.

Developing highly selective and efficient catalysts: We aim to guide CO2 conversion towards specific desired products like carbon monoxide (CO), methane (CH4), or liquid fuels such as ethanol and formate (HCOO−).
Understanding reaction mechanisms: Through in-depth mechanistic studies, we seek to uncover the fundamental steps involved in CO2 reduction, which is crucial for rational catalyst design.

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Catalyst Design: Engineering Efficiency

Hydrogen / Oxygen Evolution Reaction (HER/OER): Fueling the Future

Elucidating Fundamental Reaction Mechanisms

CO2​ Reduction Reaction: Closing the Carbon Loop

CO2 Reduction Reaction: Closing the Carbon Loop