Crystal structure engineering in multimetallic high-index facet nanocatalysts

Journal Article · 22 June 2021 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.2105722118 · OSTI ID:1798253

Shen, Bo ^[1]; Huang, Liliang  ^[2]; Shen, Jiahong  ^[2]; He, Kun  ^[3]; Zheng, Cindy Y. ^[1]; Dravid, Vinayak P. ^[3]; Wolverton, Chris ^[2]; Mirkin, Chad A.  ^[4]

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1. Department of Chemistry, Northwestern University, Evanston, IL 60208,, International Institute for Nanotechnology, Northwestern University, Evanston, IL 60208,
2. Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208,
3. International Institute for Nanotechnology, Northwestern University, Evanston, IL 60208,, Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208,, Northwestern University Atomic and Nanoscale Characterization Experimental Center, Northwestern University, Evanston, IL 60208
4. Department of Chemistry, Northwestern University, Evanston, IL 60208,, International Institute for Nanotechnology, Northwestern University, Evanston, IL 60208,, Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208,

Significance Crystal structure engineering in nanoparticles represents an important strategy in catalyst design, as catalytic performance is highly dependent on atomic arrangement. However, realizing crystal structure engineering in high-index facet nanocatalysts has been a synthetic challenge for decades. Here, we first employed density functional theory calculations to determine whether surface modifications can stabilize high-index facets during crystal structure transformations and then synthesized a library of multimetallic high-index facet tetrahexahedral (THH) nanoparticles with controllable crystal structures. Importantly, the crystal structural transition between the intermetallic and chemically disordered states is reversable, and the THH morphology of nanocatalysts is maintained during this transformation. This approach broadens the synthetic scope of nanocatalysts available for use in diverse chemical processes.

• Sponsoring Organization: USDOE
• Grant/Contract Number: AC02-05CH11231
• OSTI ID: 1798253
• Journal Information: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 26 Vol. 118; ISSN 0027-8424
• Publisher: Proceedings of the National Academy of SciencesCopyright Statement
• Country of Publication: United States
• Language: English