Mechanism driven design of trimer Ni1Sb2 site delivering superior hydrogenation selectivity to ethylene

Xiaohu Ge, Mingying Dou, Yueqiang Cao (), Xi Liu (), Qiang Yuwen, Jing Zhang, Gang Qian, Xueqing Gong, Xinggui Zhou, Liwei Chen, Weikang Yuan and Xuezhi Duan ()
Additional contact information
Xiaohu Ge: East China University of Science and Technology
Mingying Dou: East China University of Science and Technology
Yueqiang Cao: East China University of Science and Technology
Xi Liu: Shanghai Jiao Tong University
Qiang Yuwen: East China University of Science and Technology
Jing Zhang: East China University of Science and Technology
Gang Qian: East China University of Science and Technology
Xueqing Gong: East China University of Science and Technology
Xinggui Zhou: East China University of Science and Technology
Liwei Chen: Shanghai Jiao Tong University
Weikang Yuan: East China University of Science and Technology
Xuezhi Duan: East China University of Science and Technology

Nature Communications, 2022, vol. 13, issue 1, 1-13

Abstract: Abstract Mechanism driven catalyst design with atomically uniform ensemble sites is an important yet challenging issue in heterogeneous catalysis associated with breaking the activity-selectivity trade-off. Herein, a trimer Ni1Sb2 site in NiSb intermetallic featuring superior selectivity is elaborated for acetylene semi-hydrogenation via a theoretical guidance with a precise synthesis strategy. The trimer Ni1Sb2 site in NiSb intermetallic is predicted to endow acetylene reactant with an adequately but not excessively strong σ-adsorption mode while ethylene product with a weak π-adsorption one, where such compromise delivers higher ethylene formation rate. An in-situ trapping of molten Sb by Ni strategy is developed to realize the construction of Ni1Sb2 site in the intermetallic P63/mmc NiSb catalysts. Such catalyst exhibits ethylene selectivity up to 93.2% at 100% of acetylene conversion, significantly prevailing over the referred Ni catalyst. These insights shed new lights on rational catalyst design by taming active sites to energetically match targeted reaction pathway.

Date: 2022
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-022-33250-8 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-33250-8

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-022-33250-8

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().