Ismaila Dabo

IEE Faculty Member
Titles and Affiliations
Corning Faculty Fellow Associate Professor of Materials Science and Engineering, Materials Science and Engineering

Research Summary

My group develops and applies first-principles and multiscale models to study materials for energy applications. Our primary focus is on electrochemical and photochemical systems, such as fuel cells, supercapacitors, dye-sensitized devices, and solar fuel generators. Our core expertise is in understanding charge-transfer reactions and photoexcitations at electrochemical and photochemical interfaces. Our ultimate goal is to accelerate materials discovery for more efficient energy conversion and storage.

In the News

Research Keywords

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Projects

Recent Publications

Perspectives and progress on wurtzite ferroelectrics: Synthesis, characterization, theory, and device applications

Casamento, J., Baksa, S. M., Behrendt, D., Calderon, S., Goodling, D., Hayden, J., He, F., Jacques, L., Lee, S. H., Smith, W., Suceava, A., Tran, Q., Zheng, X., Zu, R., Beechem, T., Dabo, I., Dickey, E. C., Esteves, G., Gopalan, V., Henry, M. D., & 9 othersIhlefeld, J. F., Jackson, T. N., Kalinin, S. V., Kelley, K. P., Liu, Y., Rappe, A. M., Redwing, J., Trolier-McKinstry, S. & Maria, J. P., Feb 19 2024, In: Applied Physics Letters. 124, 8, 080501.

Research output: Contribution to journalShort surveypeer-review

High-entropy engineering of the crystal and electronic structures in a Dirac material

Laha, A., Yoshida, S., Marques dos Santos Vieira, F., Yi, H., Lee, S. H., Ayyagari, S. V. G., Guan, Y., Min, L., Gonzalez Jimenez, J., Miao, L., Graf, D., Sarker, S., Xie, W., Alem, N., Gopalan, V., Chang, C-Z., Dabo, I. & Mao, Z., Dec 2024, In: Nature communications. 15, 1, 3532.

Research output: Contribution to journalArticlepeer-review

Can domain knowledge benefit machine learning for concrete property prediction?

Li, Z., Pei, T., Ying, W., Srubar, W. V., Zhang, R., Yoon, J., Ye, H., Dabo, I. & Radlińska, A., Mar 2024, In: Journal of the American Ceramic Society. 107, 3, p. 1582-1602 21 p.

Research output: Contribution to journalArticlepeer-review

Discovery of the Zintl-phosphide BaCd2P2 as a long carrier lifetime and stable solar absorber

Yuan, Z., Dahliah, D., Hasan, M. R., Kassa, G., Pike, A., Quadir, S., Claes, R., Chandler, C., Xiong, Y., Kyveryga, V., Yox, P., Rignanese, G. M., Dabo, I., Zakutayev, A., Fenning, D. P., Reid, O. G., Bauers, S., Liu, J., Kovnir, K. & Hautier, G., May 15 2024, In: Joule. 8, 5, p. 1412-1429 18 p.

Research output: Contribution to journalArticlepeer-review

Thermal rectification in thin film metalattice structures: A computational study

Eichfeld, D. A., Chen, W., Dabo, I., Foley, B. M. & Ramos-Alvarado, B., Mar 21 2023, In: Journal of Applied Physics. 133, 11, 115101.

Research output: Contribution to journalArticlepeer-review

Simulation of Electrochemical Oxidation in Aqueous Environments under Applied Voltage Using Classical Molecular Dynamics

Holoviak, S., Dabo, I. & Sinnott, S., 2023, (Accepted/In press) In: Journal of Physical Chemistry A.

Research output: Contribution to journalArticlepeer-review

Band Gap Narrowing in a High-Entropy Spinel Oxide Semiconductor for Enhanced Oxygen Evolution Catalysis

Katzbaer, R. R., dos Santos Vieira, F. M., Dabo, I., Mao, Z. & Schaak, R. E., Mar 29 2023, In: Journal of the American Chemical Society. 145, 12, p. 6753-6761 9 p.

Research output: Contribution to journalArticlepeer-review

High-entropy oxides: Harnessing crystalline disorder for emergent functionality

Kotsonis, G. N., Almishal, S. S. I., Marques dos Santos Vieira, F., Crespi, V. H., Dabo, I., Rost, C. M. & Maria, J. P., Oct 2023, In: Journal of the American Ceramic Society. 106, 10, p. 5587-5611 25 p.

Research output: Contribution to journalArticlepeer-review

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Linscott, E. B., Colonna, N., De Gennaro, R., Nguyen, N. L., Borghi, G., Ferretti, A., Dabo, I. & Marzari, N., Oct 24 2023, In: Journal of Chemical Theory and Computation. 19, 20, p. 7097-7111 15 p.

Research output: Contribution to journalArticlepeer-review

Chemical Insights into the Formation of Metastable Zinc Cobalt Sulfide Solid-Solution Nanoparticles through Simultaneous Multi-Cation Exchange

McCormick, C. R., Baksa, S. M., Veglak, J. M., Dabo, I. & Schaak, R. E., Jul 25 2023, In: Chemistry of Materials. 35, 14, p. 5433-5446 14 p.

Research output: Contribution to journalArticlepeer-review

Direct Laser Writing of Multimetal Bifunctional Catalysts for Overall Water Splitting

McGee, S., Fest, A., Chandler, C., Nova, N. N., Lei, Y., Goff, J., Sinnott, S. B., Dabo, I., Terrones, M. & Zarzar, L. D., Apr 10 2023, In: ACS Applied Energy Materials. 6, 7, p. 3756-3768 13 p.

Research output: Contribution to journalArticlepeer-review

Atomic-scale polarization switching in wurtzite ferroelectrics

Sebastian Calderon, V., Hayden, J., Baksa, S. M., Tzou, W., Trolier-McKinstry, S., Dabo, I., Maria, J. P. & Dickey, E. C., Jun 9 2023, In: Science. 380, 6649, p. 1034-1038 5 p.

Research output: Contribution to journalArticlepeer-review

Atomic-scale modeling of the dissolution of oxidized platinum nanoparticles in an explicit water environment

Slapikas, R. E., Dabo, I. & Sinnott, S. B., Mar 13 2023, In: Journal of Materials Chemistry A. 11, 13, p. 7043-7052 10 p.

Research output: Contribution to journalArticlepeer-review

Enhancement of second-order optical nonlinearities and nanoscale periodic domain patterning in ferroelectric boron-substituted aluminum nitride thin films

Suceava, A., Hayden, J., Kelley, K. P., Xiong, Y., Fazlioglu-Yalcin, B., Dabo, I., Trolier-McKinstry, S., Maria, J. P. & Gopalan, V., Jun 1 2023, In: Optical Materials Express. 13, 6, p. 1522-1534 13 p.

Research output: Contribution to journalArticlepeer-review

Transition Metal Dichalcogenides as Effective Catalysts for High-Rate Lithium-Sulfur Batteries

Theibault, M. J., Chandler, C., Dabo, I. & Abruña, H. D., Mar 17 2023, In: ACS Catalysis. 13, 6, p. 3684-3691 8 p.

Research output: Contribution to journalArticlepeer-review