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Our Challenge

Using water to produce hydrogen, which is a clean and abundant energy source, is a secure method. However, the current method of producing hydrogen from water is slow and requires more energy than necessary. Scientists are not sure why this is the case because the process of splitting water into hydrogen and oxygen involves complex reactions. Our team of researchers has been formed to understand the step-by-step process of how these reactions occur, how catalysts work, and how they can improve the efficiency of producing hydrogen from water.

In our research, we are investigating how to produce clean hydrogen on a large scale. We have divided our research into three main areas called "thrusts."

Thrust 1

In Thrust 1, our focus is on understanding how different catalysts affect the process of splitting water. We want to know why some catalysts start the reaction faster than others. By studying metals and metal oxides, we aim to uncover the energy and dynamics involved in breaking apart water molecules. We will use advanced techniques like spectroscopy to observe the structure and changes that occur during the reaction.

Thrust 2

Thrust 2 is all about figuring out how the speed of the reaction is influenced by the surface properties and the environment of the catalyst. We will manipulate the surroundings of the catalyst and use different methods to study the chemical reactions happening on the surface. Our goal is to understand how electronic and chemical states can be adjusted to speed up the reaction and improve catalysis.

Thrust 3

In Thrust 3, we are focusing on the stability of the catalyst and how to prevent corrosion. We want to understand how the catalyst material changes during the reaction and the formation of chemical bonds. We will explore strategies like applying protective layers and controlling the timing of surface activation. By studying the behavior of the catalyst over multiple reaction cycles, we hope to uncover the connection between surface reconstruction and corrosion.

Community

In addition to our research, we also prioritize training and developing a diverse workforce. We want to create an inclusive environment and equip the next generation of researchers with the skills needed to advance clean hydrogen production on a large scale. We believe that through collaboration and exchange, we can make significant progress in this important field.

Faculty

Students

Publications

S. McBride, W. Chen, T. Cuk, and G. Hautier
Do Small Hole Polarons Form in Bulk Rutile TiO2?
The Journal of Physical Chemistry Letters 2333-2339 (2025)
L. Zhang, J. Kloppenburg, C. Lin, L. Mitrovic, S. Gelin, I. Dabo, D. G. Schlom, J. Suntivich, and G. Hautier
Atomistic Understanding of Hydrogen Coverage on RuO2(110) Surface under Electrochemical Conditions from Ab Initio Statistical Thermodynamics
The Journal of Physical Chemistry C 129 4043-4051 (2025)
I. Chris-Okoro, S. Cherono, W. Akande, S. Nalawade, M. Liu, C. Martin, V. Craciun, R. S. Kim, J. Mahl, T. Cuk, J. Yano, E. Crumlin, J. D. Schall, S. Aravamudhan, M. D. Mihai, J. Zheng, L. Zhang, G. Hautier, and D. Kumar
Optical and Plasmonic Properties of High-Electron-Density Epitaxial and Oxidative Controlled Titanium Nitride Thin Films
The Journal of Physical Chemistry C 129 3762-3774 (2025)
B. R. KC, D. Kumar, and B. P. Bastakoti
Enhancing electrocatalytic performance of RuO2-based catalysts: mechanistic insights, strategic approaches, and recent advances
Journal of Physics: Energy 7 022001 (2025)
A. J. Reese, S. Gelin, M. Maalouf, N. Wadehra, L. Zhang, G. Hautier, D. G. Schlom, I. Dabo, and J. Suntivich
Tracking Water Dissociation on RuO2(110) Using Atomic Force Microscopy and First-Principles Simulations
Journal of the American Chemical Society 146 32080-32087 (2024)
J. Suntivich, G. Hautier, I. Dabo, E. J. Crumlin, D. Kumar, and T. Cuk
Probing intermediate configurations of oxygen evolution catalysis across the light spectrum
Nature Energy 9 1191-1198 (2024)
S. Shendokar, M. F. Hossen, and S. Aravamudhan
Wafer-Scale ALD Synthesis of MoO3 Sulfurized to MoS2
Crystals 14 673 (2024)
I. Chris-Okoro, J. Som, S. Cherono, M. Liu, S. S. Nalawade, X. Lu, F. Wise, S. Aravamudhan, and D. Kumar
Effect of Substrate Temperature on the Electrochemical and Supercapacitance Properties of Pulsed Laser-Deposited Titanium Oxynitride Thin Films
Journal of Electrochemical Energy Conversion and Storage 22 (2024)
B. R. KC, D. Kumar, and B. P. Bastakoti
Block copolymer-mediated synthesis of TiO2/RuO2 nanocomposite for efficient oxygen evolution reaction
Journal of Materials Science 59 10193-10206 (2024)
M. D. Ashie, D. Kumar, and B. P. Bastakoti
An Emerging Trend in the Synthesis of Iron Titanate Photocatalyst Toward Water Splitting
The Chemical Record 24 (2024)
M. F. Hossen, S. Shendokar, and S. Aravamudhan
Defects and Defect Engineering of Two-Dimensional Transition Metal Dichalcogenide (2D TMDC) Materials
Nanomaterials 14 410 (2024)
M. D. Ashie, and B. P. Bastakoti
Photocatalytic Hydrogen Evolution Using Mesoporous Honeycomb Iron Titanate
Small 20 (2024)
J. Suntivich, and T. Cuk
Experimental detection of intermediates of the oxygen evolution reaction at aqueous metal-oxide interfaces
Encyclopedia of Solid-Liquid Interfaces 157-165 (2024)
A. P. Tiwari, S. McBride, A. B. Hamlin, M. S. Rahman, J. E. Huddy, G. Hautier, and W. J. Scheideler
MXene Anion Engineering for Efficient Hydrogen Evolution
ACS Sustainable Chemistry & Engineering 11 12084-12092 (2023)