Ismaila Dabo

Cofunded 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

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

Katz, R. J., Theibault, M. J., Kirchner-Hall, N. E., Mao, Z., Dabo, I., Abruña, H. D. & Schaak, R. E., 2022, (Accepted/In press) In: Advanced Energy Materials.

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

Surface reconstruction of oxidized platinum nanoparticles using classical molecular dynamics simulations

Slapikas, R., Dabo, I. & Sinnott, S. B., Jun 15 2022, In: Computational Materials Science. 209, 111364.

Research output: Contribution to journalArticlepeer-review

Erratum: Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen (Energy Environ. Sci. (2021) 14 (2335–2348) DOI: 10.1039/D0EE02984J)

Xiong, Y., Campbell, Q. T., Fanghanel, J., Badding, C. K., Wang, H., Kirchner-Hall, N. E., Theibault, M. J., Timrov, I., Mondschein, J. S., Seth, K., Katz, R., Villarino, A. M., Pamuk, B., Penrod, M. E., Khan, M. M., Rivera, T., Smith, N. C., Quintana, X., Orbe, P., Fennie, C. J., & 8 othersAsem-Hiablie, S., Young, J. L., Deutsch, T. G., Cococcioni, M., Gopalan, V., Abruña, H. D., Schaak, R. E. & Dabo, I., Mar 17 2022, In: Energy and Environmental Science. 15, 4, p. 1695 1 p.

Research output: Contribution to journalComment/debatepeer-review

A promising Zn-Ti layered double hydroxide/Fe-bearing montmorillonite composite as an efficient photocatalyst for Cr(VI) reduction: Insight into the role of Fe impurity in montmorillonite

Chuaicham, C., Xiong, Y., Sekar, K., Chen, W., Zhang, L., Ohtani, B., Dabo, I. & Sasaki, K., Apr 30 2021, In: Applied Surface Science. 546, 148835.

Research output: Contribution to journalArticlepeer-review

Single-step synthesis of oxygen-doped hollow porous graphitic carbon nitride for photocatalytic ciprofloxacin decomposition

Chuaicham, C., Sekar, K., Xiong, Y., Balakumar, V., Mittraphab, Y., Shimizu, K., Ohtani, B., Dabo, I. & Sasaki, K., Dec 1 2021, In: Chemical Engineering Journal. 425, 130502.

Research output: Contribution to journalArticlepeer-review

Predicting the Pseudocapacitive Windows for MXene Electrodes with Voltage-Dependent Cluster Expansion Models

Goff, J. M., Marques Dos Santos Vieira, F., Keilbart, N. D., Okada, Y. & Dabo, I., Apr 26 2021, In: ACS Applied Energy Materials. 4, 4, p. 3151-3159 9 p.

Research output: Contribution to journalArticlepeer-review

Quantifying multipoint ordering in alloys

Goff, J. M., Li, B. Y., Sinnott, S. B. & Dabo, I., Aug 1 2021, In: Physical Review B. 104, 5, 054109.

Research output: Contribution to journalArticlepeer-review

Ferroelectricity in boron-substituted aluminum nitride thin films

Hayden, J., Hossain, M. D., Xiong, Y., Ferri, K., Zhu, W., Imperatore, M. V., Giebink, N., Trolier-Mckinstry, S., Dabo, I. & Maria, J. P., Apr 2021, In: Physical Review Materials. 5, 4, 044412.

Research output: Contribution to journalArticlepeer-review

Extensive benchmarking of DFT+U calculations for predicting band gaps

Kirchner-Hall, N. E., Zhao, W., Xiong, Y., Timrov, I. & Dabo, I., Mar 1 2021, In: Applied Sciences (Switzerland). 11, 5, 2395.

Research output: Contribution to journalArticlepeer-review

Single-Step Direct Laser Writing of Multimetal Oxygen Evolution Catalysts from Liquid Precursors

McGee, S., Lei, Y., Goff, J., Wilkinson, C. J., Nova, N. N., Kindle, C. M., Zhang, F., Fujisawa, K., Dimitrov, E., Sinnott, S. B., Dabo, I., Terrones, M. & Zarzar, L. D., Jun 22 2021, In: ACS nano. 15, 6, p. 9796-9807 12 p.

Research output: Contribution to journalArticlepeer-review

Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion

Penrod, K. A., Burgess, M. A., Akbarian, D., Dabo, I., Woodward, W. H. H. & Van Duin, A. C. T., Dec 7 2021, In: Journal of Chemical Physics. 155, 21, 214104.

Research output: Contribution to journalArticlepeer-review

Environmental impact of amino acids on selenate-bearing hydrocalumite: Experimental and DFT studies

Wang, M., Akamatsu, H., Dabo, I. & Sasaki, K., Nov 1 2021, In: Environmental Pollution. 288, 117687.

Research output: Contribution to journalArticlepeer-review

Environmental impact of amino acids on the release of selenate immobilized in hydrotalcite: Integrated interpretation of experimental and density-functional theory study

Wang, M., Akamatsu, H., Dabo, I. & Sasaki, K., Jul 2021, In: Chemosphere. 274, 129927.

Research output: Contribution to journalArticlepeer-review

Data-driven analysis of the electronic-structure factors controlling the work functions of perovskite oxides

Xiong, Y., Chen, W., Guo, W., Wei, H. & Dabo, I., Mar 21 2021, In: Physical Chemistry Chemical Physics. 23, 11, p. 6880-6887 8 p.

Research output: Contribution to journalArticlepeer-review