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Scalable High Entropy Alloys Supported on Defective Ceria for Hydrogenation of CO₂ to Methanol

Implementing Organization

Principal Investigator
Dr. Saibalendu Sarkar
Tata Institute Of Fundamental Research
saibalendusarkar00043@gmail.com

Project Overview

Catalytic reduction of CO₂ to CO using green H₂ lies at the core of a circular carbon economy, enabling syngas production for downstream fuels and chemicals. Despite decades of effort, no catalyst has met commercial targets, until recently Prof. Polshettiwar’s team achieved a record 50,000 mmol·g⁻¹·h⁻¹ at 1 bar by integrating defect-engineered ceria (CeO₂) supports, trimetallic active sites, and tunable SMSI (Proc. Natl. Acad. Sci. U.S.A. 2025, 122, e2411406122). Their work clearly demonstrated that precisely controlled oxygen vacancies, electronic synergy in multimetallic ensembles, and dynamic metal–support interfaces are the key levers for pushing activity and stability to new heights. However, these rates remain insufficient for commercialization, necessitating the discovery of novel catalyst materials. Building on this paradigm, I propose to anchor high entropy alloy (HEA) nanoparticles on defective ceria to further amplify performance. The central challenge, synthesizing atomically uniform HEAs with strict composition and size control, will be addressed using the solvated metal atom dispersion (SMAD) technique. SMAD uniquely generates and disperses isolated metal atoms in the gas phase, enabling sub-nanometer precision over multimetallic composition and particle size. Although SMAD has been mastered for mono- and bimetallic systems, its application to HEAs remains unexplored, offering a rich frontier for discovery of entirely new catalytic materials. By combining Prof. Polshettiwar’s expertise in SMSI-driven catalysis with my proficiency in SMAD-based nanomaterials synthesis, this collaboration will deliver the first HEA/ceria catalysts designed for benchmark CO₂-to-methanol conversion, and potentially establish a new class of high-performance, scalable catalysts. This project will integrate innovative material with adjustable multimetallic active sites with ceria's redox capabilities to boost catalytic activity and durability. Our goal is to achieve ~25% CO₂ conversion, ~85% methanol selectivity, and ~500 h stability under industrially relevant conditions (200-300 °C, 20-50 bar). To ensure atomic-level precision and characterize SMSI in the catalyst, we will employ High-energy-resolution fluorescence-detection X-ray absorption spectroscopy (HERFD-XAS), electron energy loss spectroscopy (EELS), powder X-ray diffraction (PXRD), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICP-MS), and transmission electron microscopy (TEM). Catalyst evaluation will be performed in a fixed-bed continuous flow reactor, with online gas chromatography equipped with FID and TCD detectors. Aligned with India's 2070 net-zero mission; this project aims to develop NiCuZnAgPd/CeO₂ catalysts to advance CO₂-to-methanol technology to technology readiness level (TRL) 4/5. By bridging lab innovation with industrial-scale deployment, we aim to enable sustainable fuel production while generating high-impact publications and patents.
Funding Organization
Quick Information
Area of Research
Chemical Sciences
Focus Area
Energy, Materials, Solid State And Nanotechnology
Start Date
01 Jan 2026
End Date
31 Dec 2027
Status
ongoing
Output
No. of Research Paper
00
Technologies (If Any)
00
No. of PhD Produced
00
Publications
00
No. of Patents
Filed : 00
Grant : 00
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