Ismaila Dabo

Cofunded Faculty Member
Titles and Affiliations
Assistant Professor, 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

Recent Publications

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

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

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

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

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen

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 others, Asem-Hiablie, S., Young, J. L., Deutsch, T. G., Cococcioni, M., Gopalan, V., Abruña, H. D., Schaak, R. E. & Dabo, I., Apr 2021, In: Energy and Environmental Science. 14, 4, p. 2335-2348 14 p.

Research output: Contribution to journalArticlepeer-review

Achieving Minimal Heat Conductivity by Ballistic Confinement in Phononic Metalattices

Chen, W., Talreja, D., Eichfeld, D., Mahale, P., Nova, N. N., Cheng, H. Y., Russell, J. L., Yu, S. Y., Poilvert, N., Mahan, G., Mohney, S. E., Crespi, V. H., Mallouk, T. E., Badding, J. V., Foley, B., Gopalan, V. & Dabo, I., Apr 28 2020, In: ACS nano. 14, 4, p. 4235-4243 9 p.

Research output: Contribution to journalArticlepeer-review

Energy-resolved distribution of electron traps for O/S-doped carbon nitrides by reversed double-beam photoacoustic spectroscopy and the photocatalytic reduction of Cr(vi)

Chuaicham, C., Karthikeyan, S., Pawar, R. R., Xiong, Y., Dabo, I., Ohtani, B., Kim, Y., Song, J. T., Ishihara, T. & Sasaki, K., Apr 4 2020, In: Chemical Communications. 56, 26, p. 3793-3796 4 p.

Research output: Contribution to journalArticlepeer-review

Tuning Triplet-Pair Separation versus Relaxation Using a Diamond Anvil Cell

Doucette, G. S., Huang, H. T., Munro, J. M., Munson, K. T., Park, C., Anthony, J. E., Strobel, T., Dabo, I., Badding, J. V. & Asbury, J. B., Jan 22 2020, In: Cell Reports Physical Science. 1, 1, 100005.

Research output: Contribution to journalArticlepeer-review