气候变化领域集成服务门户(CCPortal): Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site

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DOI	10.1073/pnas.2106527118
	Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site
	Wang T.; Abild-Pedersen F.
发表日期	2021
ISSN	0027-8424
卷号	118 期号:30
英文摘要	The production of ammonia through the Haber–Bosch process is regarded as one of the most important inventions of the 20th century. Despite significant efforts in optimizing the process, it still consumes 1 to 2% of the worldwide annual energy for the high working temperatures and pressures. The design of a catalyst with a high activity at milder conditions represents another challenge for this reaction. Herein, we combine density functional theory and microkinetic modeling to illustrate a strategy to facilitate low-temperature and -pressure ammonia synthesis through modified energy-scaling relationships using a confined dual site. Our results suggest that an ammonia synthesis rate two to three orders of magnitude higher than the commercial Ru catalyst can be achieved under the same reaction conditions with the introduction of confinement. Such strategies will open pathways for the development of catalysts for the Haber–Bosch process that can operate at milder conditions and present more economically viable alternatives to current industrial solutions. © 2021 National Academy of Sciences. All rights reserved.
英文关键词	Haber–Bosch process \| milder conditions \| confinement \| scaling relation \| microkinetic modeling
语种	英语
来源期刊	Proceedings of the National Academy of Sciences of the United States of America
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/238467
作者单位	Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou, 310024, China; SUNCAT Center for Interface Science and Catalysis, Stanford Linear Accelerator Center, Menlo Park, CA 94025, United States
推荐引用方式 GB/T 7714	Wang T.,Abild-Pedersen F.. Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site[J],2021,118(30).
APA	Wang T.,&Abild-Pedersen F..(2021).Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site.Proceedings of the National Academy of Sciences of the United States of America,118(30).
MLA	Wang T.,et al."Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site".Proceedings of the National Academy of Sciences of the United States of America 118.30(2021).