Dr. Dzade has extensive experience in the fields of surface science, catalysis, and computational materials chemistry. His research activities are focused on employing the state-of-the-art computer simulations and modeling techniques based on the Density Functional Theory (DFT) to (a) Design and predict new materials with tailored and improved functionalities, (b) Describe interface phenomena including adsorption, surface chemical reactions, and heterogeneous catalysis, and (c) Obtain information about the atomic structure and electronic states that may be hard to access experimentally. Recently, his research activities are focused on computer-aided design of iron-sulfide nanocatalysts for the solar-driven conversion of CO2 to fuels.
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Recent Publications
Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures
Amakali, T., Živković, A., Warwick, M. E. A., Jones, D. R., Dunnill, C. W., Daniel, L. S., Uahengo, V., Mitchell, C. E., Dzade, N. Y. & de Leeuw, N. H., Apr 14 2022, In: Frontiers in Chemistry. 10, 835832.Research output: Contribution to journal › Article › peer-review
Reduction of Transition-Metal Columbite-Tantalite as a Highly Efficient Electrocatalyst for Water Splitting
Bacirhonde, P. M., Dzade, N. Y., Chalony, C., Park, J., Jeong, E. S., Afranie, E. O., Lee, S., Kim, C. S., Kim, D. H. & Park, C. H., Apr 6 2022, In: ACS Applied Materials and Interfaces. 14, 13, p. 15090-15102 13 p.Research output: Contribution to journal › Article › peer-review
Adsorption of Polycyclic Aromatic Hydrocarbons and C60onto Forsterite: C-H Bond Activation by the Schottky Vacancy
Campisi, D., Lamberts, T., Dzade, N. Y., Martinazzo, R., Ten Kate, I. L. & Tielens, A. G. G. M., Aug 18 2022, In: ACS Earth and Space Chemistry. 6, 8, p. 2009-2023 15 p.Research output: Contribution to journal › Article › peer-review
Rationally designed NiS2-MnS/MoS2 hybridized 3D hollow N-Gr microsphere framework-modified celgard separator for highly efficient Li-S batteries
Doan, T. L. L., Nguyen, D. C., Amaral, R., Dzade, N. Y., Kim, C. S. & Park, C. H., Dec 15 2022, In: Applied Catalysis B: Environmental. 319, 121934.Research output: Contribution to journal › Article › peer-review
First-Principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystals via Surface Functionalization by 4-Aminothiophenol for Photovoltaic Applications
Farkaš, B., Živković, A., Uahengo, V., Dzade, N. Y. & de Leeuw, N. H., Feb 28 2022, In: ACS Applied Energy Materials. 5, 2, p. 2318-2328 11 p.Research output: Contribution to journal › Article › peer-review
Zinc Oxide Graphene Oxide Nanocomposites: Synthesis, Characterization and T heir Optical Properties
Kachere, A. R., Kakade, P. M., Kanwade, A. R., Dani, P., Mandlik, N. T., Rondiya, S. R., Dzade, N. Y., Jadkar, S. R. & Bhosale, S. V., Jun 2022, In: ES Materials and Manufacturing. 16, p. 19-29 11 p.Research output: Contribution to journal › Article › peer-review
Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye
Kumar, S. A., Jarvin, M., Inbanathan, S. S. R., Umar, A., Lalla, N. P., Dzade, N. Y., Algadi, H., Rahman, Q. I. & Baskoutas, S., Nov 2022, In: Environmental Technology and Innovation. 28, 102746.Research output: Contribution to journal › Article › peer-review
Terbium-Doped and Dual-Passivated γ-CsPb(I1−xBrx)3 Inorganic Perovskite Solar Cells with Improved Air Thermal Stability and High Efficiency
Mali, S. S., Patil, J. V., Rondiya, S. R., Dzade, N. Y., Steele, J. A., Nazeeruddin, M. K., Patil, P. S. & Hong, C. K., Jul 21 2022, In: Advanced Materials. 34, 29, 2203204.Research output: Contribution to journal › Article › peer-review
Vanadium telluride nanoparticles on MWCNTs prepared by successive ionic layer adsorption and reaction for solid-state supercapacitor
Pandit, B., Rondiya, S. R., Cross, R. W., Dzade, N. Y. & Sankapal, B. R., Feb 1 2022, In: Chemical Engineering Journal. 429, 132505.Research output: Contribution to journal › Article › peer-review
Reply to “comments on volumetric, acoustic and IR spectroscopic properties of binary mixtures (1, 2-diaminopropane + methyl-, ethyl-, n-propyl- and n-butyl acetates: A combined experimental and first-principles investigation”
Parmar, D., Botchway, C. H., Dzade, N. Y., Kumari, K., Maken, S., Rani, M. & Kumar, N., May 15 2022, In: Journal of Molecular Liquids. 354, 118810.Research output: Contribution to journal › Article › peer-review
Volumetric, acoustic and IR spectroscopic properties of binary mixtures (1,2-diaminopropane + methyl-, ethyl-, n-propyl- and n-butyl acetates: A combined experimental and first-principles investigation
Parmar, D., Botchway, C. H., Dzade, N. Y., Kumari, K., Maken, S., Rani, M. & Kumar, N., Feb 1 2022, In: Journal of Molecular Liquids. 347, 118279.Research output: Contribution to journal › Article › peer-review
Realization of Electrochemically Grown α-Fe2O3 Thin Films for Photoelectrochemical Water Splitting Application
Rokade, A. V., Jadhav, Y. A., Jathar, S., Rahane, S., Barma, S., Rahane, G. K., Thawarkar, S., Vairale, P., Punde, A., Shah, S., Rondiya, S. R., Dzade, N. Y., Pandit, B., Pawar, J., Roy, A. & Jadkar, S., 2022, In: Engineered Science. 17, p. 242-255 14 p.Research output: Contribution to journal › Article › peer-review
Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells
Rondiya, S. R., Jadhav, Y. A., Živković, A., Jathar, S. B., Rahane, G. K., Cross, R. W., Rokade, A. V., Devan, R. S., Kolekar, S., Hoye, R. L. Z., Ghosh, H. N., de Leeuw, N. H., Jadkar, S. R. & Dzade, N. Y., Jan 15 2022, In: Journal of Alloys and Compounds. 890, 161575.Research output: Contribution to journal › Article › peer-review
Improved photocatalytic activity of TiO2 nanoparticles through nitrogen and phosphorus co-doped carbon quantum dots: an experimental and theoretical study
Yashwanth, H. J., Rondiya, S. R., Dzade, N. Y., Hoye, R. L. Z., Choudhary, R. J., Phase, D. M., Dhole, S. D. & Hareesh, K., Jun 6 2022, In: Physical Chemistry Chemical Physics. 24, 25, p. 15271-15279 9 p.Research output: Contribution to journal › Article › peer-review
Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity
Ashritha, M. G., Rondiya, S. R., Cross, R. W., Dzade, N. Y., Dhole, S. D., Hareesh, K. & Sunitha, D. V., Apr 15 2021, In: Applied Surface Science. 545, 148962.Research output: Contribution to journal › Article › peer-review