• Best Paper (CHEMCON)
• Best Poster (ENMAT-II)
• Putatunda Memorial (JU)
• Academic Excellence (IITK)
• Young Researchers (IICHE)

Journal
• Extending the Periodic Transient Kinetics Method by Techniques resolving Surface Reaction Intermediates by Zirn A., P A. , Baade G. , Stagge H. , Ray K. , Güttel R. ChemCatChem - (Accepted/In-Press)
• Reflection of plane waves in the modeling of chemical potential diffusion within porous elastic media in context of Klein-Gordon time nonlocality assisted with machine learning prediction by Yadav A. K., Yadav M. , Marin M. , Ray K. Journal of Thermal Stresses 1-39 (2026)
• Rh and Ni Fe Alloy Catalysts Supported on -Al2O3 for CO2 Methanation: A Combined Kinetic and DRIFTS Study by Kumar R., P A. , Sahoo S. K., Prabhakar J. K., Ray K. European Journal of Inorganic Chemistry e2025005 1-16 (2026)
• Effect of iron, cobalt and copper in nickel-based bimetal catalysts for CO2 activation - Insights from DFT and DRIFTS by P A., Ray K. Molecular Catalysis 588 115537-115551 (2026)
• Enhanced visible light photocatalytic degradation of oxytetracycline through sugarcane bagasse biochar supported layered WS2 type-II staggered heterojunction: Towards performance, degradation pathway, toxicity, and life cycle assessment by Chauhan S., Bhar R., Ray K., Chowdhury S., Ghangrekar M.M., Dubey B.K. Environmental Research 271 121100-121118 (2025)
• Green graphitic-carbon bridged Ag2S/g-C3N4 S-scheme photocatalyst for tetracycline degradation in water with antimicrobial activity: From synthesis to commercialization prospect by Taksal P. A., Arasavilli S. , Das B. K., Ray K. , Bhattacharya J. , Chowdhury S. Separation and Purification Technology 361 131610-131627 (2025)
• Surface-dependent CO2 and CO activation on iron and iron carbides: Insights from density functional theory by P A., Güttel R. , Ray K. Surface Science 763 122855-122868 (2025)
• An energy-efficient aspen plus model for H2-rich syngas production via dry reforming of ethanol: A thermodynamic analysis by Senapati S., Ray K., Pradhan N.C. International Journal of Hydrogen Energy 98 1107-1118 (2025)
• Understanding the role of Mn in Ni-Mn/Al2O3 and Ni3Fe-Mn/Al2O3 catalysts for enhanced CO2 methanation activity by Prabhakar J.K., Kumar R., Ray K., Apte P.A., Deo G. Journal of Environmental Chemical Engineering 13 115233-115247 (2025)
• Benchmarking potential catalysts and choice of descriptor for CO2 methanation using transition metal based catalysts by Kumar R., P A. , Prabhakar J. K., Nayak S. C., Apte P. A., Deo G. , Ray K. Applied Catalysis A, General 687 119957-119970 (2024)
• The pivotal role of oxygen vacancy and surface hydroxyl in the adsorption and activation of CO2 on ceria-zirconia mixed oxide by Singh P. P., P A. , Kamaliny S. , Ray K. , Sengupta S. Molecular Catalysis 555 113855-113867 (2024)
• Accelerating catalytic experimentation of water gas shift reaction using machine learning models by C S. K., Ray K. Chemical Engineering Research and Design 212 472-484 (2024)
• Addition of CuO to form CuO/TiO2 and CuO/ZnO heterojunctions for photocatalytic CO2 conversion to methanol by Sahoo S. K., P A. , Ray K. , Pandey D. Chemical Physics Letters 856 141678-141687 (2024)
• CO2 hydrogenation on ruthenium: comparative study of catalyst supports by Baade G., Friedland J. , Ray K. , Güttel R. RSC Sustainability 2 3826-3834 (2024)
• Machine learning-enhanced optimal catalyst selection for water-gas shift reaction by Golder R., Pal S. , C S. K., Ray K. Digital Chemical Engineering 12 100165-100175 (2024)
• Selective photo-reduction of CO2 to methanol using Cu-doped 1D-Bi2S3/rGO nanocomposites under visible light irradiation by Mandal A., Maitra S., Roy S., Hazra B., Ray K., Kargupta K. New Journal of Chemistry 47 1422-1434 (2023)
• Modelling of anaerobic digester for the conversion of organic waste into hydrogen & methane by Sahoo S. K., Arif M. , Ray K. Materials Today: Proceedings 72 299-305 (2023)
• Density functional theory insights on photocatalytic ability of CuO/TiO2 and CuO/ZnO by Singha B., Ray K. Materials Today: Proceedings 72 451-458 (2023)
• Ni/CexZr1-xO2 catalyst prepared via one-step coprecipitation for CO2 reforming of CH4 to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE) by Prasad M., Ray K. , Sinhamahapatra A. , Sengupta S. Journal of Materials Science 57 2839-2856 (2022)
• NaBH4-Assisted Synthesis of B-(Ni-Co)/MgAl2O4Nanostructures for the Catalytic Dry Reforming of Methane by Shakir M., Prasad M., Ray K., Sengupta S., Sinhamahapatra A., Liu S., Vuthaluru H.B. ACS Applied Nano Materials 5 10951-10961 (2022)
• Thermodynamic equilibrium analysis on oxidative dehydrogenation of propane using CO2: Finding a suitable reactant ratio for propylene formation by Kumar G., Pattnaik A. , Sehgal S. , Ray K. , Pandey D. Journal of the Indian Chemical Society 97 1-5 (2020)
• Activity and stability descriptors of Ni based alloy catalysts for dry reforming of methane: A density functional theory study by Ray K., Sandupatla A. S., Deo G. International Journal of Quantum Chemistry e 26580 1-7 (2020)
• Oxidative dehydrogenation of propane over alumina supported vanadia catalyst Effect of carbon dioxide and secondary surface metal oxide additive by Sandupatla A. S., Ray K. , Thaosen P. , Sivananda C. , Deo G. Catalysis Today 354 176-182 (2020)
• Promotion of unsupported nickel catalyst using iron for CO2 methanation by Pandey D., Ray K. , Bhardwaj R. , Bojja S. , Chary K. , Deo G. International Journal of Hydrogen Energy 43 4987-5000 (2018)
• Developing descriptors for CO 2 methanation and CO 2 reforming of CH 4 over Al 2 O 3 supported Ni and low-cost Ni based alloy catalysts by Ray K., Bhardwaj R. , Singh B. , Deo G. Physical Chemistry Chemical Physics 20 15939-15950 (2018)
• A potential descriptor for the CO2 hydrogenation to CH4 over Al2O3 supported Ni and Ni-based alloy catalysts by Ray K., Deo G. Applied Catalysis B: Environmental 218 525-537 (2017)
• Reforming and cracking of CH4 over Al2O3 supported Ni, Ni-Fe and Ni-Co catalysts by Ray K., Sengupta S. , Deo G. Fuel Processing Technology 156 195-203 (2017)
• Effects of modifying Ni/Al2O3 catalyst with cobalt on the reforming of CH4 with CO2 and cracking of CH4 reactions by Sengupta S., Ray K. , Deo G. International Journal of Hydrogen Energy 39 11462-11472 (2014)

Principal Investigator

• Development of Efficient Catalyst using Transition Metals for CO2 Hydrogenation
• Development of SiO2 Supported FE Catalyst for CO2 Methanation: A Combined Investigation using Drifts and DFT