Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas

doi:10.1002/er.4736

GIEC OpenIR

	Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas
	Zhao, Kun1,2,3 ; Chen, Jing 1,2,3,4; Li, Haibin1,2,3 ; Zheng, Anqing1,2,3 ; Huang, Zhen 1,2,3; Wei, Guoqiang 1,2,3; Zhao, Zengli1,2,3 ; Wang, Xiaobo1,2,3
	2019-07-23
发表期刊	INTERNATIONAL JOURNAL OF ENERGY RESEARCH
ISSN	0363-907X
页码	15
通讯作者	Zheng, Anqing(zhengaq@ms.giec.ac.cn)
摘要	Chemical looping steam methane reforming (CL-SMR) provides a promising pathway to reform methane and to jointly generate high-quality syngas and hydrogen. The key issue is the designing of oxygen carriers (OCs) with high reactivity, good selectivity, and excellent recyclability. The high temperature required for chemical looping reaction also presents challenges in terms of producing stable and anticarbon deposition OCs. Here, we report a three-dimensional ordered macroporous (3DOM) Co-Fe doping perovskites as OCs for CL-SMR, in which the active perovskite phases are equipped with well-ordered wall skeleton in three dimensions. Multiple of characterization techniques such as H-2-TPR, XRD, SEM, and XPS were used to characterize the physicochemical properties of OCs. Combining with the tests on fixed-bed reactor, we demonstrated that the 3DOM structures are beneficial to reduce the mass diffusion resistance and to supply more active sites for fuel conversion. The synergetic effects of metal Fe-Co promote the reactivity by increasing the reaction rate and reducing the reaction temperature. These experiment results are further explored by using the first-principle calculations. Differences in the atomic charges and electronic densities show that there are more negative oxygen ions in the doping cells. The substitution of Co increased the transition intensity of Co3d-O2p orbit, and more electrons were excited near Fermi level. These deeper predictions insight into the synergistic mechanism will provide meaningful information for the selecting and designing of oxygen carriers in subsequent study.
关键词	3DOM perovskite chemical looping methane reforming synergism density functional theory
DOI	10.1002/er.4736
关键词[WOS]	PEROVSKITE-TYPE OXIDES ; CHEMICAL LOOPING COMBUSTION ; OXYGEN CARRIERS ; HYDROGEN-PRODUCTION ; CATALYTIC COMBUSTION ; FE ; REDUCTION ; GAS ; DFT ; CA
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[51776210] ; National Natural Science Foundation of China[51876205] ; Science & Technology Research Project of Guangdong Province[2015A010106009] ; National Key Research and Development Program of China[2017YFE0105500]
WOS研究方向	Energy & Fuels ; Nuclear Science & Technology
项目资助者	National Natural Science Foundation of China ; Science & Technology Research Project of Guangdong Province ; National Key Research and Development Program of China
WOS类目	Energy & Fuels ; Nuclear Science & Technology
WOS记录号	WOS:000477474200001
出版者	WILEY
引用统计	被引频次：19[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/25358
专题	中国科学院广州能源研究所
通讯作者	Zheng, Anqing
作者单位	1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Beijing, Peoples R China 2.CAS Key Lab Renewable Energy, Beijing, Peoples R China 3.Guangdong Prov Key Lab New & Renewable Energy Res, Guangzhou, Guangdong, Peoples R China 4.Univ Sci & Technol China, Nano Sci & Technol Inst, Suzhou 215123, Peoples R China
第一作者单位	中国科学院广州能源研究所
推荐引用方式 GB/T 7714	Zhao, Kun,Chen, Jing,Li, Haibin,et al. Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas[J]. INTERNATIONAL JOURNAL OF ENERGY RESEARCH,2019:15.
APA	Zhao, Kun.,Chen, Jing.,Li, Haibin.,Zheng, Anqing.,Huang, Zhen.,...&Wang, Xiaobo.(2019).Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas.INTERNATIONAL JOURNAL OF ENERGY RESEARCH,15.
MLA	Zhao, Kun,et al."Investigation of the relationship between electronic properties and reactivity of 3DOM LaFe1-xCoxO3 for methane reforming to produce syngas".INTERNATIONAL JOURNAL OF ENERGY RESEARCH (2019):15.