Raw Data for Tailoring High Entropy Borides for Hydrogenation: The Influence of Crystal Morphology and the Exploration of Catalytic Pathways

Authors

Michael Yeung, University at Albany, State University of New YorkFollow
Ting Wang, University at Albany, State University of New YorkFollow

Document Type

Data

Publication Date

2025

Abstract

The high entropy boride (HEB) Al0.2Nb0.2Pt0.2Ta0.2Ti0.2B2, with its unique crystal structure and high coordination (platinum coordinated to 12 borons), has been shown in our previous work to exhibit exceptional catalytic properties, especially in sulfur-rich environments, where traditional platinum catalysts would succumb to sulfur-poisoning. In this work, we investigate the mechanism of the HEB catalyst, first by comparing the synthesis by flux growth, as previously reported, to an arc melted preparation. It is evident that the aluminum flux growth synthesis encourages the growth of single crystals, with clear and defined crystal facets, whereas the arc melted sample results in poorly defined facets with non-uniform morphology. Here, we explore two potential mechanisms: hydrogen spillover effect (HSPE) and hydrogen atom transfer (HAT) by which the catalytic pathway is performed. Hydrogenation reactions were performed using WO3 and 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO), which highlight the ability of the heterogeneous HEB catalyst to perform the hydrogenation through a suspended solid solution in addition to a dissolved solution. We propose that the HEB Al0.2Nb0.2Pt0.2Ta0.2Ti0.2B2 goes through a hybrid HAT/HSPE mechanism, where H2 bonds to the platinum atoms on the edges of the HEB, dissociate, then the radical hydrogen departs to the substrate.

Comments

Raw data used to generate data for publication, which can be found here:

1. Rosenberg A, Lintz D, Li J, Zhang Y, Doane J, Bristol M, et al. Tailoring High Entropy Borides for Hydrogenation: The Influence of Crystal Morphology and the Exploration of Catalytic Pathways. ChemRxiv. 2025; 10.26434/chemrxiv-2025-018jg; This content is a preprint and has not been peer-reviewed.

Creative Commons License

This work is licensed under a Creative Commons Attribution CC0 1.0 Universal License.

Recommended Citation

Yeung, Michael and Wang, Ting, "Raw Data for Tailoring High Entropy Borides for Hydrogenation: The Influence of Crystal Morphology and the Exploration of Catalytic Pathways" (2025). Chemistry Department Faculty Scholarship. 7.
https://scholarsarchive.library.albany.edu/chemistry_fac_scholar/7