PMID- 28887563 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20180103 LR - 20181113 IS - 2041-1723 (Electronic) IS - 2041-1723 (Linking) VI - 8 IP - 1 DP - 2017 Sep 8 TI - The most active Cu facet for low-temperature water gas shift reaction. PG - 488 LID - 10.1038/s41467-017-00620-6 [doi] LID - 488 AB - Identification of the active site is important in developing rational design strategies for solid catalysts but is seriously blocked by their structural complexity. Here, we use uniform Cu nanocrystals synthesized by a morphology-preserved reduction of corresponding uniform Cu(2)O nanocrystals in order to identify the most active Cu facet for low-temperature water gas shift (WGS) reaction. Cu cubes enclosed with 100 facets are very active in catalyzing the WGS reaction up to 548 K while Cu octahedra enclosed with 111 facets are inactive. The Cu-Cu suboxide (Cu(x)O, x >/= 10) interface of Cu(100) surface is the active site on which all elementary surface reactions within the catalytic cycle proceed smoothly. However, the formate intermediate was found stable at the Cu-Cu(x)O interface of Cu(111) surface with consequent accumulation and poisoning of the surface at low temperatures. Thereafter, Cu cubes-supported ZnO catalysts are successfully developed with extremely high activity in low-temperature WGS reaction.Nanocrystals display a variety of facets with different catalytic activity. Here the authors identify the most active facet of copper nanocrystals relevant to the low-temperature water gas shift reaction and further design zinc oxide-copper nanocubes with exceptionally high catalytic activity. FAU - Zhang, Zhenhua AU - Zhang Z AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. FAU - Wang, Sha-Sha AU - Wang SS AD - Dalian Institute of Chemical Physics, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Dalian, 116023, China. FAU - Song, Rui AU - Song R AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. FAU - Cao, Tian AU - Cao T AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. FAU - Luo, Liangfeng AU - Luo L AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. FAU - Chen, Xuanye AU - Chen X AD - Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, 321004, China. FAU - Gao, Yuxian AU - Gao Y AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. FAU - Lu, Jiqing AU - Lu J AD - Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, 321004, China. FAU - Li, Wei-Xue AU - Li WX AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. AD - Dalian Institute of Chemical Physics, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Dalian, 116023, China. FAU - Huang, Weixin AU - Huang W AUID- ORCID: 0000-0002-5025-3124 AD - Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, China. huangwx@ustc.edu.cn. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20170908 PL - England TA - Nat Commun JT - Nature communications JID - 101528555 PMC - PMC5591213 COIS- The authors declare no competing financial interests. EDAT- 2017/09/10 06:00 MHDA- 2017/09/10 06:01 PMCR- 2017/09/08 CRDT- 2017/09/10 06:00 PHST- 2017/01/21 00:00 [received] PHST- 2017/07/13 00:00 [accepted] PHST- 2017/09/10 06:00 [entrez] PHST- 2017/09/10 06:00 [pubmed] PHST- 2017/09/10 06:01 [medline] PHST- 2017/09/08 00:00 [pmc-release] AID - 10.1038/s41467-017-00620-6 [pii] AID - 620 [pii] AID - 10.1038/s41467-017-00620-6 [doi] PST - epublish SO - Nat Commun. 2017 Sep 8;8(1):488. doi: 10.1038/s41467-017-00620-6.