@article{Yang2023, 
author = {Shengshu Yang and Fang Zhang and Haifa Qiu and Ming Yang and Fengjuan Qin and Hao Tang and Wenxing Chen and Zhengang Liu},
title = {Highly efficient hydrogen production from methanol by single nickel atoms anchored on defective boron nitride nanosheet},
year = {2023},
journal = {Nano Research},
volume = {16},
number = {7},
pages = {8800-8808},
keywords = {single-atom catalyst, coordination environment, boron nitride, hydrogen production, liquid organic hydrogen carriers},
url = {https://www.sciopen.com/article/10.1007/s12274-023-5515-3},
doi = {10.1007/s12274-023-5515-3},
abstract = {Exploiting inexpensive and effective nickel-based catalysts that produce hydrogen from liquid organic hydrogen carriers (LOHCs) is crucial to alleviating the global energy and environmental crisis. In this study, we report a rational strategy that can realize atomically dispersed Ni atoms anchored on vacancy-abundant boron nitride nanosheets (Ni1/h-BNNS) with high specific surface area (up to 622 m2·g−1) and abundant hydroxyl groups for high efficient hydrogen production. Methanol dehydrogenation results show an excellent hydrogen production performance catalyzed by this Ni1/h-BNNS, as evidenced by a remarkably high H2 yield rate (1684.23 mol·molNi−1·h−1), nearly 100% selectivity toward hydrogen and CO, and high anti-coking performance. Density functional theory (DFT) calculations reveal that the outstanding catalytic performance of Ni1/h-BNNS primarily originates from the unique coordinated environment of atomically dispersed Ni (Ni-B2O2) and the synergistic interaction between Ni single atoms and the h-BNNS support. Specifically, the coordinated O atoms play a decisive role in promoting the activity of Ni, and the neighboring B sites significantly decrease the energy barriers for the adsorption of key intermediates of methanol dehydrogenation. This study offers a novel strategy for developing high-performance and stable single-atom Ni catalysts by precisely controlling single-atom sites on h-BN support for sustainable hydrogen production.}
}