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Surface morphology effects on clathrate hydrate wettability

https://doi.org/10.1016/j.jcis.2021.12.083

Phan, Anh ; Stoner, Hannah M. ; Stamatakis, Michail ; Koh, Carolyn A. ; Striolo, Alberto ( April 2022 , Journal of Colloid and Interface Science)

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Correlating Antiagglomerant Performance with Gas Hydrate Cohesion

https://doi.org/10.1021/acsami.1c06309

Phan, Anh ; Stamatakis, Michail ; Koh, Carolyn A. ; Striolo, Alberto ( August 2021 , ACS Applied Materials & Interfaces)

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Stochastic Cellular Automata Modeling of CO 2 Hydrate Growth and Morphology

https://doi.org/10.1021/acs.cgd.3c00045

Pineda, Miguel ; Phan, Anh ; Koh, Carolyn Ann ; Striolo, Alberto ; Stamatakis, Michail ( May 2023 , Crystal Growth & Design)
Wetting Properties of Clathrate Hydrates in the Presence of Polycyclic Aromatic Compounds: Evidence of Ion-Specific Effects

https://doi.org/10.1021/acs.jpclett.2c01846

Phan, Anh ; Stamatakis, Michail ; Koh, Carolyn A. ; Striolo, Alberto ( August 2022 , The Journal of Physical Chemistry Letters)
First-principles design of a single-atom–alloy propane dehydrogenation catalyst

https://doi.org/10.1126/science.abg8389

Hannagan, Ryan T. ; Giannakakis, Georgios ; Réocreux, Romain ; Schumann, Julia ; Finzel, Jordan ; Wang, Yicheng ; Michaelides, Angelos ; Deshlahra, Prashant ; Christopher, Phillip ; Flytzani-Stephanopoulos, Maria ; et al ( June 2021 , Science)

The complexity of heterogeneous catalysts means that a priori design of new catalytic materials is difficult, but the well-defined nature of single-atom–alloy catalysts has made it feasible to perform unambiguous theoretical modeling and precise surface science experiments. Herein we report the theory-led discovery of a rhodium-copper (RhCu) single-atom–alloy catalyst for propane dehydrogenation to propene. Although Rh is not generally considered for alkane dehydrogenation, first-principles calculations revealed that Rh atoms disperse in Cu and exhibit low carbon-hydrogen bond activation barriers. Surface science experiments confirmed these predictions, and together these results informed the design of a highly active, selective, and coke-resistant RhCu nanoparticle catalyst that enables low-temperature nonoxidative propane dehydrogenation.

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