@article{Lin2025, 
author = {Jiajin Lin and Jin Yang and Tan Li and Shuaiqi Zhao and Wei-Hsiang Huang and Chi-Liang Chen and Yun Zhao and Shumin Liu and Lin Gu and Leneng Yang and Yongcai Qiu and Guangxu Chen},
title = {Surface structure engineering of PtCu clusters enhances the performance of propane dehydrogenation},
year = {2025},
journal = {Nano Research},
volume = {18},
number = {5},
pages = {94907357},
keywords = {surface structure, propane dehydrogenation, PtCu alloy, single-atom alloys, catalyst regeneration},
url = {https://www.sciopen.com/article/10.26599/NR.2025.94907357},
doi = {10.26599/NR.2025.94907357},
abstract = {Highly dispersed Pt-based single-atom alloys have been extensively studied in heterogeneous catalysis, particularly for propane dehydrogenation (PDH). However, Pt-based single-atom alloys still suffer from sintering and coke deposition in high-temperature dehydrogenation reactions. Additionally, the atomic structure of the active sites of Pt-based single-atom alloys for PDH remains elusive, and the solid chemistry occurring on the catalyst surface is still under debate. In this work, we discovered that the coordination environment of the single Pt atom for Pt1Cu30 cluster catalysts, encapsulated with a carbon layer, can be regulated by sequential heat treatment under air and H2 atmosphere. The Pt1Cu30 cluster catalyst, with a single Pt atom coordinated by 9 Cu atoms, is similar to the surface structure of Pt1Cu3 (111) and exhibits excellent catalytic activity and stability at high temperatures, maintaining propane conversion of 43.5% and propylene selectivity of 98.2%, with a deactivation constant (Kd) of 0.01 h−1, even after 32 h of testing at 600 °C. The combination of structural characterizations and temperature programmed analysis reveal that the single Pt atom coordinated by around 9 Cu atoms of the Pt1Cu30 cluster catalyst, serves as the vital active sites for C–H cleavage of propane and propylene desorption due to their electron-rich and geometrically isolated Pt atom structure. Furthermore, the thin carbon layer coated on the surface of Pt1Cu30 clusters can effectively reduce the desorption energy of propylene, thereby avoiding further dehydrogenation and improving the propylene yield and catalytic stability.}
}