High-temperature resistant BaO-Y2O3 catalysts with different morphologies for NO decomposition and mechanism study
文献类型：期刊论文
| 作者 | Xu, Kangwei3,4; Qin, Chunlan2; Deng, Runjie1,3; Zhang, Wei3,4; Song, Qianshi3; Zhang, Lidong2; Wang, Xiaohan3,4 |
| 刊名 | FUEL
 |
| 出版日期 | 2024-07-15 |
| 卷号 | 368页码:11 |
| 关键词 | NO high-temperature decomposition BaO-Y2O3 Oxygen vacancy DFT calculations |
| ISSN号 | 0016-2361 |
| DOI | 10.1016/j.fuel.2024.131638 |
| 通讯作者 | Zhang, Lidong(zld@ustc.edu.cn) ; Wang, Xiaohan(wangxh@ms.giec.ac.cn) |
| 英文摘要 | The high-temperature reaction is a common phenomenon in combustion society, and its catalytic response remain a tremendous challenge hampered by the activity and resistance of the catalyst to high temperatures exceeding 1000 degrees C Three distinct forms of BaO-Y2O3 catalysts-nanosphere, nanorod, and rod-were created using a hydrothermal method and high-temperature annealing to enable direct decomposition of NO. To gather reaction-relevant structural and property information for BaO-Y2O3, we combined reactor activity measurements, chemisorption and DFT studies to elucidate NO high-temperature decomposition process and pinpoint the critical role of oxygen vacancy. We have systematically clarified the increasing favorability of NO decomposition on the nano-catalysts (nanospheres and nanorods) at high temperatures is through stable lattice structure, large specific surface areas, high porosity, and active Ba-O-Y bond. Due to the attraction of electrons gathering in vacancies to NO molecules, oxygen vacancies created in situ at high temperatures, as validated by O-2-TPD and density functional theory (DFT) calculations, are advantageous for NO adsorption and decomposition. Moreover, N-2 formation pathway over Ba-Y2O3(111) structure is revealed by DFT calculations that NO molecules are apt to be caught by active sites, the region of Ba-O-Y, resulting in the production of N2O2 intermediate and its subsequent bond breaking to N2O as well as N-2. In situ DRIFTS experiment further confirms the reaction mechanism via the detected adsorbed species, and clarify the significance of NO2- to O-2 formation. In a nutshell, the synthetic combustion catalysts are effective in high-temperature environments that contribute to de-NOx combustion, and the insights into the adsorption configurations of reactant and intermediates unlock fundamental understanding for emissions gas chemistry. |
| WOS关键词 | ACTIVE-SITE ; OXIDE ; O-2 ; N-2 ; REDUCTION ; CU-ZSM-5 ; CO |
| 资助项目 | Special Project for Research and Development in Key Areas of Guangdong Province[2020B1111360004] ; National Natural Science Foundation of China[52206285] ; Science Fund for Distinguished Young Scholars of Anhui Province[2308085J20] ; China Postdoctoral Science Foundation[2022M723161] ; China Postdoctoral Science Foundation[2023T160648] |
| WOS研究方向 | Energy & Fuels ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:001222968900001 |
| 出版者 | ELSEVIER SCI LTD |
| 资助机构 | Special Project for Research and Development in Key Areas of Guangdong Province ; National Natural Science Foundation of China ; Science Fund for Distinguished Young Scholars of Anhui Province ; China Postdoctoral Science Foundation |
| 源URL | [http://ir.giec.ac.cn/handle/344007/41703]  |
| 专题 | 中国科学院广州能源研究所 |
| 通讯作者 | Zhang, Lidong; Wang, Xiaohan |
| 作者单位 | 1.Guangdong Ocean Univ, Coll Ocean Engn & Energy, Zhanjiang 524088, Peoples R China 2.Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China 3.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China 4.Univ Sci & Technol China, Sch Energy Sci & Engn, Hefei 230029, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Kangwei,Qin, Chunlan,Deng, Runjie,et al. High-temperature resistant BaO-Y2O3 catalysts with different morphologies for NO decomposition and mechanism study[J]. FUEL,2024,368:11. |
| APA | Xu, Kangwei.,Qin, Chunlan.,Deng, Runjie.,Zhang, Wei.,Song, Qianshi.,...&Wang, Xiaohan.(2024).High-temperature resistant BaO-Y2O3 catalysts with different morphologies for NO decomposition and mechanism study.FUEL,368,11. |
| MLA | Xu, Kangwei,et al."High-temperature resistant BaO-Y2O3 catalysts with different morphologies for NO decomposition and mechanism study".FUEL 368(2024):11. |
入库方式： OAI收割
来源：广州能源研究所
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