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

DFT insights into the adsorption mechanisms of lithium polysulfides on Ni2P (0001) surface for lithium–sulfur batteries

Amaral, R. & Dzade, N. Y., Jun 30 2024, In: Applied Surface Science. 659, 159847.

Research output: Contribution to journalArticlepeer-review

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

Unraveling the origin of the high photocatalytic properties of earth-abundant TiO2/FeS2 heterojunctions: insights from first-principles density functional theory

Awe, O. F., Eya, H. I., Amaral, R., Komalla, N., Nbelayim, P. & Dzade, N. Y., Mar 29 2024, In: Physical Chemistry Chemical Physics. 26, 16, p. 12869-12879 11 p.

Research output: Contribution to journalArticlepeer-review

Synthesis and Interface Engineering in Heterojunctions of Tin-Selenide-Based Nanostructures for Photoelectrochemical Water Splitting

Barma, S. V., Jathar, S. B., Huang, Y. T., Jadhav, Y. A., Rahane, G. K., Rokade, A. V., Nasane, M. P., Rahane, S. N., Cross, R. W., Suryawanshi, M. P., Jo, S. B., Hoye, R. L. Z., Jadkar, S. R., Dzade, N. Y. & Rondiya, S. R., Jan 26 2024, In: ACS Applied Nano Materials. 7, 2, p. 1986-1999 14 p.

Research output: Contribution to journalArticlepeer-review

Novel Au/Cu2NiSnS4 Nano-Heterostructure: Synthesis, Structure, Heterojunction Band Offset and Alignment, and Interfacial Charge Transfer Dynamics

Jadhav, Y. A., Rahane, G. K., Goswami, T., Jagadish, K., Chordiya, K., Roy, A., Debnath, T., Jathar, S. B., Devan, R., Upadhyay Kahaly, M., Rondiya, S. R., Ghosh, H. N. & Dzade, N. Y., May 1 2024, In: ACS Applied Materials and Interfaces. 16, 17, p. 21746-21756 11 p.

Research output: Contribution to journalArticlepeer-review

Molybdenum oxide/nickel molybdenum oxide heterostructures hybridized active platinum co-catalyst toward superb-efficiency water splitting catalysis

Luu Luyen Doan, T., Chuong Nguyen, D., Komalla, N., Hieu, N. V., Nguyen-Dinh, L., Dzade, N. Y., Sang Kim, C. & Hee Park, C., Sep 15 2024, In: Journal of Colloid And Interface Science. 670, p. 12-27 16 p.

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

Bilayered graded phase homojunction FA0.15MA0.85PbI3-based organic-inorganic hybrid perovskite solar cells crossing 22 % efficiency

Patil, J. V., Mali, S. S., Rondiya, S. R., Dzade, N. Y. & Hong, C. K., Mar 2024, In: Progress in Solid State Chemistry. 73, 100437.

Research output: Contribution to journalArticlepeer-review

Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light

Rokade, A., Rahane, G. K., Živković, A., Rahane, S. N., Tarkas, H. S., Hareesh, K., de Leeuw, N. H., Sartale, S. D., Dzade, N. Y., Jadkar, S. R. & Rondiya, S. R., Apr 2 2024, In: Langmuir. 40, 13, p. 6884-6897 14 p.

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