Nelson Yaw Dzade

IEE Faculty Member
Titles and Affiliations
Assistant Professor, John and Willie Leone Department of Energy & Mineral Engineering (EME)

Nelson Dzade is an energy and materials scientist who uses advanced computer modeling to design cleaner energy technologies while also building global collaborations and mentoring the next generation of scientists, especially across Africa. He is an assistant professor and chair of the undergraduate Energy Engineering Program at Penn State, where he leads the Materials and Minerals Theory Group, an interdisciplinary research team working at the intersection of chemistry, physics, materials science, and machine learning. His research focuses on understanding materials at the atomic level to support innovations in renewable energy, including solar cells, catalysts for hydrogen production and carbon dioxide conversion, and next-generation batteries.

In the News

Research Keywords

Projects

Recent Publications

Cu2O/1T−MoS2 Mott–Schottky heterojunction hybridized porous electrospun carbon fibers as multifunctional separator coating for Li-S batteries

Doan, T. L. L., Lee, J. H., Kim, T. H., Nguyen, D. C., Dzade, N. Y. & Park, C. H., Feb 2026, In: Journal of Colloid And Interface Science. 703, 139128.

Research output: Contribution to journalArticlepeer-review

Tea (Camellia sinensis) Extract-Mediated Green Synthesis of Co3O4and Co3O4@Graphene Nanocomposites for Multifunctional Applications in Pollutant Degradation, Sensing, and Energy Storage

Ganesh, L., Kumar, S. A., Arumugam, B., Jarvin, M., Rosaline, D. R., Dzade, N. Y. & Rajkumar Inbanathan, S. S., Mar 3 2026, In: Langmuir. 42, 8, p. 6007-6021 15 p.

Research output: Contribution to journalArticlepeer-review

Comparative Study of Hydrothermal and Sonochemical Preparation of Cu and Ag Codoped ZnO/Graphene Nanocomposites for Enhanced Catalytic and Inactivation of Pathogens

Mariadhas, J., Ganesan, V., Narayanan, S., Panchu, S. J., Swart, H. C., Dzade, N. Y. & Inbanathan, S. S. R., Feb 12 2026, In: ChemPhysChem. 27, 3, e202500256.

Research output: Contribution to journalArticlepeer-review

Zirconium- and hafnium-based chalcogenide perovskites: From materials to devices and applications

Zalrhi, H., Daim, S., Makha, M., Dzade, N. Y., Outzourhit, A., Abd-lefdil, M. & Atourki, L., Mar 2026, In: Journal of Energy Chemistry. 114, p. 448-472 25 p.

Research output: Contribution to journalReview articlepeer-review

Indentation Size Effects and the Mechanical Properties of Barite Rocks

Adamu, H. A., Afolayan, D. O., Ogunmodimu, O. S. O., Asumadu, T. K., Olajuyi, S. I., Dzade, N. Y. & Soboyejo, W. O., Nov 2025, In: Minerals. 15, 11, 1226.

Research output: Contribution to journalArticlepeer-review

DFT insights into the optoelectronic, valence band photoemission spectra, and interface band alignment properties of Zn3P2 solar absorber

Adul, J. A., Eya, H. I., Mishra, N. & Dzade, N. Y., Dec 2025, In: Materials Today Communications. 49, 114275.

Research output: Contribution to journalArticlepeer-review

Understanding the Metal-Center Mediated Adsorption and Redox Mechanisms in a FeMn(NbTa)2O6 Columbite Material for Anion Exchange Membrane Water Electrolyzers

Bacirhonde, P. M., Shrestha, D., Kang, K., Hia, E. M., Komalla, N., Dzade, N. Y., Buldu-Akturk, M., Browne, M. P., Poudel, M. B., Yoo, D. J., Jeong, E. S., Mohamed, A. Y., Han, B. G., Cho, D. Y., Curnan, M. T., Gu, G. H., Han, J. W. & Park, C. H., Jun 24 2025, In: Advanced Energy Materials. 15, 24, 2404479.

Research output: Contribution to journalArticlepeer-review

Bandgap engineering of SrZrS3chalcogenide perovskite via substitutional doping for photovoltaic applications: a first-principles DFT study

Eya, H. I., Patterson, R. & Dzade, N. Y., Dec 7 2025, In: Physical Chemistry Chemical Physics. 27, 45, p. 24195-24210 16 p.

Research output: Contribution to journalArticlepeer-review

Integrated Experimental and Density Functional Theory Study of SnS/SnSe Heterojunction Nanostructures: Synthesis, Band Alignment, and Electronic Structure Insights

Nasane, M. P., Rahane, G. K., Rahane, S. N., Jathar, S. B., Jadkar, S. R., Jadhav, Y. A., Deepak, K. & Dzade, N. Y., Oct 14 2025, In: Langmuir. 41, 40, p. 27143-27153 11 p.

Research output: Contribution to journalArticlepeer-review

Exploring Cs2AgInxBi1−xCl6 double perovskites for optoelectronics: insights from theoretical and photophysical approaches

Rahane, S. N., Rahane, G. K., Jadhav, Y., Nasane, M. P., Eya, H. I., Kalleshappa, D., Hareesh, K., Pawar, J., Jadkar, S. R. & Dzade, N. Y., Oct 2 2025, In: Physical Chemistry Chemical Physics. 27, 38, p. 20885-20900 16 p.

Research output: Contribution to journalArticlepeer-review

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

Charge Transfer Modulation in the α-CsPbI3/WS2 Heterojunction via Band-Tailoring with Elemental Ni Doping

Bhatt, H., Saha, R., Goswami, T., Sangeetha, C. K., Justice Babu, K., Kaur, G., Shukla, A., Patel, M. S., Rondiya, S. R., Dzade, N. Y. & Ghosh, H. N., Dec 18 2024, In: ACS Photonics. 11, 12, p. 5367-5379 13 p.

Research output: Contribution to journalArticlepeer-review