@article{Bao2025, 
author = {Yuxiang Bao and Xiuhui Zheng and Chang Liu and Xing Lv and Yinming Guo and Baorui Li and Jianlin Cao and Yujie Gao and Juncong Yuan and Mengxin Wang and Zhe Ma and Yongxiao Tuo and Hao Yan and Lina Li and Yibin Liu and Xiaobo Chen and Xiang Feng and Chaohe Yang and De Chen},
title = {Asymmetric Cu1-N3-P-C active centers for efficient acetylene hydrochlorination},
year = {2025},
journal = {Carbon Future},
volume = {2},
number = {1},
pages = {9200040},
keywords = {acetylene hydrochlorination, copper catalysis, Cu1-N3-P-C complex, kinetic analysis, intrinsic stability},
url = {https://www.sciopen.com/article/10.26599/CF.2025.9200040},
doi = {10.26599/CF.2025.9200040},
abstract = {We investigated the pivotal role of active center symmetry on the stability of reactant adsorption and the transition state dynamics within the context of acetylene hydrochlorination. Our innovative approach involved the integration of phosphorus into a nitrogen-doped carbon framework and introduced the single Cu center, culminating in the development of novel copper-nitrogen-phosphorus-carbon (Cu-NPC) catalysts. These catalysts are distinguished by their asymmetrical Cu1-N3-P-C chemical environment. Our kinetic studies shed light on the underlying mechanisms contributing to the superior performance of the Cu-NPC catalysts. These catalysts not only enhance the reaction rate by moderating the adsorption strength of reactants, thereby optimizing the reaction kinetics, but also demonstrate an outstanding ability to mitigate the risk of carbon deposition, a common challenge that compromises catalyst longevity and efficiency. This is evidenced by a notably low deactivation rate of 0.027 h−1 at a high C2H2 weight hourly space velocity (WHSV) of 1.4  gC2H2⋅gcat−1⋅h−1. This research not only advances our understanding of the critical influence of active center symmetry on catalyst performance but also paves the way for the rational design of advanced catalysts tailored for specific industrial applications.}
}