Nelson Yaw Dzade

Affiliate Researcher
Titles and Affiliations
Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)

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.

In the News

Research Keywords

Projects

Recent Publications

Mechanistic insights into the adsorption and dissociation of nitrogen oxides on nickel phosphide (Ni2P) catalysts

Amaral, R. & Dzade, N. Y., Mar 2024, In: Materials Today Communications. 38, 107824.

Research output: Contribution to journalArticlepeer-review

Advanced Mott-Schottky heterojunction of semi-conductive MoS2 nanoparticles/metallic CoS2 nanotubes as an efficient multifunctional catalyst for urea-water electrolysis

Luyen Doan, T. L., Nguyen, D. C., Kang, K., Ponnusamy, A., Eya, H. I., Dzade, N. Y., Kim, C. S. & Park, C. H., Mar 2024, In: Applied Catalysis B: Environmental. 342, 123295.

Research output: Contribution to journalArticlepeer-review

Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyte

Offia-Kalu, N. E., Nwanonenyi, S. C., Abdulhakeem, B., Dzade, N. Y. & Onwalu, P. A., Mar 2024, In: Journal of Molecular Graphics and Modelling. 127, 108667.

Research output: Contribution to journalArticlepeer-review

Ruthenium Engineered A2B2O6-Hybrid Columbite Ferrite for Bifunctional pH-Universal Water Splitting

Bacirhonde, P. M., Mohamed, A. Y., Han, B., Cho, D. Y., Devendra, S., Choi, J. W., Lim, C. R., Afranie, E. O., Baik, K. H., Kang, K., Lee, S., Jeong, E. S., Komalla, N., Dzade, N. Y., Park, C. H. & Kim, C. S., Jun 16 2023, In: Advanced Energy Materials. 13, 23, 2300174.

Research output: Contribution to journalArticlepeer-review

Atomic Dispersion of Rh on Interconnected Mo2C Nanosheet Network Intimately Embedded in 3D NixMoOy Nanorod Arrays for pH-Universal Hydrogen Evolution

Doan, T. L. L., Nguyen, D. C., Bacirhonde, P. M., Yasin, A. S., Rezk, A. I., Dzade, N. Y., Kim, C. S. & Park, C. H., Sep 2023, In: Energy and Environmental Materials. 6, 5, e12407.

Research output: Contribution to journalArticlepeer-review

Density Functional Theory Insights into the Structural, Electronic, Optical, Surface, and Band Alignment Properties of BaZrS3 Chalcogenide Perovskite for Photovoltaics

Eya, H. I. & Dzade, N. Y., Jun 12 2023, In: ACS Applied Energy Materials. 6, 11, p. 5729-5738 10 p.

Research output: Contribution to journalArticlepeer-review

Hierarchical 2D MnO2@1D mesoporous NiTiO3 core-shell hybrid structures for high-performance supercapattery electrodes: Theoretical and experimental investigations

Kitchamsetti, N., Samtham, M., Singh, D., Choudhary, E., Rondiya, S. R., Ma, Y. R., Cross, R. W., Dzade, N. Y. & Devan, R. S., May 1 2023, In: Journal of Electroanalytical Chemistry. 936, 117359.

Research output: Contribution to journalArticlepeer-review

Phase-heterojunction all-inorganic perovskite solar cells surpassing 21.5% efficiency

Mali, S. S., Patil, J. V., Shao, J. Y., Zhong, Y. W., Rondiya, S. R., Dzade, N. Y. & Hong, C. K., Sep 2023, In: Nature Energy. 8, 9, p. 989-1001 13 p.

Research output: Contribution to journalArticlepeer-review

Regulated electrochemical performance of manganese oxide cathode for potassium-ion batteries: A combined experimental and first-principles density functional theory (DFT) investigation

Pandit, B., Rondiya, S. R., Shaikh, S. F., Ubaidullah, M., Amaral, R., Dzade, N. Y., Goda, E. S., ul Hassan Sarwar Rana, A., Singh Gill, H. & Ahmad, T., Mar 2023, In: Journal of Colloid And Interface Science. 633, p. 886-896 11 p.

Research output: Contribution to journalArticlepeer-review

Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbI2Br perovskite solar cells

Rondiya, S. R., Mali, S. S., Roy, A., Inwati, G. K., Rahane, G. K., Jadhav, Y. A., Suresh, S., Debnath, T., Hong, C. K. & Dzade, N. Y., Aug 23 2023, In: Physical Chemistry Chemical Physics. 25, 42, p. 29050-29060 11 p.

Research output: Contribution to journalArticlepeer-review

The Transfer Hydrogenation of Cinnamaldehyde Using Homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the Complexes Anchored on Fe3O4 Support as Pre-Catalysts: An Experimental and In Silico Approach

Sejie, F. P., Oyetunji, O. A., Darkwa, J., Beas, I. N., Makhubela, B. C. E., Dzade, N. Y. & de Leeuw, N. H., Jan 2023, In: Molecules. 28, 2, 659.

Research output: Contribution to journalArticlepeer-review

First-principles insights into sulfur oxides (SO2 and SO3) adsorption and dissociation on layered iron sulfide (FeS) catalyst

Shehu, M., Oladipo, T. T., Baffa, F. U., Abdullahi, T., Ugwu, C. K., Tanimu, A. M., Adegboyega, J., Korir, G. K., Odoguje, I. A. & Dzade, N. Y., Mar 2023, In: Materials Today Communications. 34, 105452.

Research output: Contribution to journalArticlepeer-review

Lead-Free Solid State Mechanochemical Synthesis of Cs2NaBi1-xFexCl6 Double Perovskite: Reduces Band Gap and Enhances Optical Properties

Udavant, R., Thawarkar, S., Rondiya, S., Shelke, A., Aher, R., Ajithkumar, T. G., Cross, R. W., Dzade, N. Y. & Jadkar, S., Mar 27 2023, In: Inorganic chemistry. 62, 12, p. 4861-4871 11 p.

Research output: Contribution to journalArticlepeer-review

Synergy between nitrogen, phosphorus co-doped carbon quantum dots and ZnO nanorods for enhanced hydrogen production

Yashwanth, H. J., Rondiya, S. R., Eya, H. I., Dzade, N. Z., Phase, D. M., Dhole, S. D. & Hareesh, K., Mar 15 2023, In: Journal of Alloys and Compounds. 937, 168397.

Research output: Contribution to journalArticlepeer-review

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 journalArticlepeer-review