Ismaila Dabo

Thematic Area Lead, Integrated Energy Systems
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

 These keywords and phrases come from the publications and other research output of this person. See other researchers related to these topics by clicking on any keyword.

Projects

Recent Publications

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

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

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

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

Strong electron-phonon coupling driven pseudogap modulation and density-wave fluctuations in a correlated polar metal

Wang, H., Xiong, Y., Padma, H., Wang, Y., Wang, Z., Claes, R., Brunin, G., Min, L., Zu, R., Wetherington, M. T., Wang, Y., Mao, Z., Hautier, G., Chen, L. Q., Dabo, I. & Gopalan, V., Dec 2023, In: Nature communications. 14, 1, 5769.

Research output: Contribution to journalArticlepeer-review

Thermodynamic and electron transport properties of Ca3Ru2 O7 from first-principles phonon calculations and Boltzmann transport theory

Wang, Y., Xiong, Y., Yang, T., Yuan, Y., Shang, S. L., Liu, Z. K., Gopalan, V., Dabo, I. & Chen, L. Q., Jan 15 2023, In: Physical Review B. 107, 3, 035118.

Research output: Contribution to journalArticlepeer-review

Understanding the Photoelectrochemical Properties of Theoretically Predicted Water-Splitting Catalysts for Effective Materials Discovery

Katzbaer, R. R., Theibault, M. J., Kirchner-Hall, N. E., Mao, Z., Dabo, I., Abruña, H. D. & Schaak, R. E., Dec 8 2022, In: Advanced Energy Materials. 12, 46, 2201869.

Research output: Contribution to journalArticlepeer-review

Machine learning in concrete science: applications, challenges, and best practices

Li, Z., Yoon, J., Zhang, R., Rajabipour, F., Srubar, W. V., Dabo, I. & Radlińska, A., Dec 2022, In: npj Computational Materials. 8, 1, 127.

Research output: Contribution to journalReview articlepeer-review