当前位置：
X-MOL 学术
›
J. Mater. Chem. A
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Clarifying the controversial catalytic active sites of Co3O4 for the oxygen evolution reaction†
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2019-09-23 , DOI: 10.1039/c9ta08379k Yong Xu 1, 2, 3, 4, 5 , Fengchu Zhang 6, 7, 8, 9, 10 , Tian Sheng 5, 11, 12, 13 , Tao Ye 6, 7, 8, 9, 10 , Ding Yi 6, 7, 8, 9, 10 , Yijun Yang 6, 7, 8, 9, 10 , Shoujie Liu 5, 14, 15 , Xi Wang 6, 7, 8, 9, 10 , Jiannian Yao 1, 2, 3, 4, 5
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2019-09-23 , DOI: 10.1039/c9ta08379k Yong Xu 1, 2, 3, 4, 5 , Fengchu Zhang 6, 7, 8, 9, 10 , Tian Sheng 5, 11, 12, 13 , Tao Ye 6, 7, 8, 9, 10 , Ding Yi 6, 7, 8, 9, 10 , Yijun Yang 6, 7, 8, 9, 10 , Shoujie Liu 5, 14, 15 , Xi Wang 6, 7, 8, 9, 10 , Jiannian Yao 1, 2, 3, 4, 5
Affiliation
|
Insights into the real catalytic active site(s) of promising oxygen evolution reaction (OER) catalysts is significant for the further development of high-performance catalysts. Spinel cobalt oxide (Co3O4), with both tetrahedral (Co2+) and octahedral (Co3+) sites, has been widely studied as an efficient non-precious OER catalyst. However, controversial results still exist regarding its OER performance in determining the active sites from two different tetrahedral and octahedral sites. Here, we have designed size-controllable Co3O4 hexagonal platelets with (111) exposed surfaces only containing tetrahedral Co2+ sites as model catalysts, and systematically investigated the catalytic properties of the tetrahedral sites on the surface of the (111) plane and the octahedral sites on the surface of the (110)-B plane for the OER using density functional theory (DFT) and various characterization methods. The theoretical and experimental results further reveal that the high catalytic activity is based on the existence of octahedral sites in Co3O4, meaning that the octahedral sites are responsible for the OER reaction and have been identified as the dominant active sites of spinel Co3O4.
中文翻译：
阐明有争议的Co 3 O 4催化氧释放反应的催化活性位点†
深入了解有前途的析氧反应（OER）催化剂的实际催化活性位对于高性能催化剂的进一步开发具有重要意义。具有四面体（Co 2+）和八面体（Co 3+）位的尖晶石型氧化钴（Co 3 O 4）已被广泛研究为一种有效的非贵金属OER催化剂。但是，关于从两个不同的四面体和八面体位点确定活性位点的OER性能，仍然存在争议的结果。在这里，我们设计了尺寸可控的Co 3 O 4六角形血小板，其（111）暴露表面仅包含四面体Co 2+位置作为模型催化剂，并使用密度泛函理论（DFT）和密度泛函理论系统地研究了（111）-B平面表面上的四面体位点和（110）-B平面表面上的八面体位点对OER的催化性能。各种表征方法。理论和实验结果进一步表明，高催化活性是基于Co 3 O 4中存在八面体位点，这意味着八面体位点负责OER反应，并已被确定为尖晶石Co 3的主要活性位点。O 4。
更新日期：2019-10-16
中文翻译：
阐明有争议的Co 3 O 4催化氧释放反应的催化活性位点†
深入了解有前途的析氧反应（OER）催化剂的实际催化活性位对于高性能催化剂的进一步开发具有重要意义。具有四面体（Co 2+）和八面体（Co 3+）位的尖晶石型氧化钴（Co 3 O 4）已被广泛研究为一种有效的非贵金属OER催化剂。但是，关于从两个不同的四面体和八面体位点确定活性位点的OER性能，仍然存在争议的结果。在这里，我们设计了尺寸可控的Co 3 O 4六角形血小板，其（111）暴露表面仅包含四面体Co 2+位置作为模型催化剂，并使用密度泛函理论（DFT）和密度泛函理论系统地研究了（111）-B平面表面上的四面体位点和（110）-B平面表面上的八面体位点对OER的催化性能。各种表征方法。理论和实验结果进一步表明，高催化活性是基于Co 3 O 4中存在八面体位点，这意味着八面体位点负责OER反应，并已被确定为尖晶石Co 3的主要活性位点。O 4。
京公网安备 11010802027423号