A molecule-like PtAu24 (SC6H13)18 nanocluster as an electrocatalyst for hydrogen production

Kyuju Kwak, Woojun Choi, Qing Tang, Minseok Kim, Yongjin Lee, De En Jiang, Dongil Lee

Research output: Contribution to journalArticlepeer-review

250 Citations (Scopus)


The theoretically predicted volcano plot for hydrogen production shows the best catalyst as the one that ensures that the hydrogen binding step is thermodynamically neutral. However, the experimental realization of this concept has suffered from the inherent surface heterogeneity of solid catalysts. It is even more challenging for molecular catalysts because of their complex chemical environment. Here, we report that the thermoneutral catalyst can be prepared by simple doping of a platinum atom into a molecule-like gold nanocluster. The catalytic activity of the resulting bimetallic nanocluster, PtAu 24 (SC 6 H 13) 18, for the hydrogen production is found to be significantly higher than reported catalysts. It is even better than the benchmarking platinum catalyst. The molecule-like bimetallic nanocluster represents a class of catalysts that bridge homogeneous and heterogeneous catalysis and may provide a platform for the discovery of finely optimized catalysts.

Original languageEnglish
Article number14723
JournalNature communications
Publication statusPublished - 2017 Mar 10

Bibliographical note

Publisher Copyright:
© The Author(s) 2017.

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • General Chemistry
  • General Biochemistry,Genetics and Molecular Biology


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