钛改性对γ-Fe2O3选择催化还原脱硝性能强化机制的分子模拟研究

周文波; 牛胜利; 王栋; 路春美; 韩奎华; 李英杰; 朱英

钛改性对γ-Fe₂O₃选择催化还原脱硝性能强化机制的分子模拟研究

1.
山东大学能源与动力工程学院, 山东济南 250061
2.
佐治亚理工学院布鲁克贝尔可持续发展学院, 佐治亚亚特兰大 30332
3.
齐鲁工业大学(山东省科学院)新材料研究所, 山东济南 250014

基金项目:

国家自然科学基金 51576117

国家自然科学基金 21906090

山东省重大科技创新工程项目 2019JZZY020305

详细信息

中图分类号: TQ534
计量
- 文章访问数: 284
- HTML全文浏览量: 185
- PDF下载量: 20
- 被引次数: 0
出版历程
- 收稿日期: 2020-08-26
- 修回日期: 2020-09-23
- 网络出版日期: 2021-01-23
- 刊出日期: 2020-10-10

Promoting effect of Ti in the Ti-modified γ-Fe₂O₃ catalyst on its performance in the selective catalytic reduction of NO with ammonia, a DFT calculation study

1.
School of Energy and Power Engineering, Shandong University, Jinan 250061, China
2.
Brook Byers Institute for Sustainable Systems and School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30332, United States
3.
Advanced Materials Institute, Qilu University of Technology(Shandong Academy of Science), Jinan 250014, China

Funds:

The National Natural Science Foundation of China 51576117

The National Natural Science Foundation of China 21906090

Important Project in the Scientific Innovation of Shandong Province 2019JZZY020305

More Information

Corresponding author: NIU Sheng-li, E-mail:nsl@sdu.edu.cn

摘要

摘要: 采用密度泛函理论（DFT）研究了典型过渡金属Ti掺杂改性对γ-Fe₂O₃选择催化还原（NH₃-SCR）脱硝性能强化影响的作用机制。构建了单Ti和双Ti在γ-Fe₂O₃（001）表面的不同Fe位置的掺杂模型，计算了表面掺杂形成能，探讨了O₂、NO和NH₃分子在Ti掺杂前后的γ-Fe₂O₃（001）表面的吸附特性，并进行了反应机理分析。结果表明，单Ti倾向于掺杂在八面体Fe_oct位，双Ti倾向于两个Fe_oct位。Ti的掺杂增强了催化剂表面对O₂的吸附能力，吸附性能随Ti掺杂量增加而增强。单Ti和双Ti的掺杂都抑制了NO以N端在催化剂表面的吸附。Ti能够强化NH₃的吸附，增强了Lewis酸位，有利于SCR反应。Ti的掺杂增大了NO₂生成的反应能垒，降低了γ-Fe₂O₃低温区的SCR反应。Ti的掺杂抑制了NH和N的形成，避免了NH₃的过度氧化，提高NH₃的利用率，有利于SCR反应，并且抑制了通过E-R机理产生的N₂O，具有良好的N₂选择性。Ti的掺杂能够改善γ-Fe₂O₃在NH₃-SCR中还原NO的性能。
- NH₃-SCR /
- γ-Fe₂O₃ /
- 钛掺杂 /
- DFT
Abstract: The promoting effect of a typical transition metal Ti in the Ti-modified γ-Fe₂O₃ catalyst on its performance in the selective catalytic reduction (SCR) of NO with ammonia was investigated by density functional theory (DFT) calculation. Various doping models of single Ti and double Ti at different Fe sites on the γ-Fe₂O₃(001) surface were constructed; the surface doping formation energy was calculated, the adsorption characteristics of O₂, NO and NH₃ molecules on γ-Fe₂O₃ (001) surface before and after Ti doping were compared, and the reaction mechanism was analyzed. The results illustrate that single Ti atom tends to be doped at octahedral Feoct site, whereas two Ti atoms at two Feoct sites. The adsorption of O₂ onto the catalyst surface can be enhanced through the Ti doping; moreover, the enhancement increases with an increase in the doping content of Ti. Both single Ti and double Ti doping inhibit the N-terminal adsorption of NO on the catalyst surface. Ti can enhance the Lewis acid sites and promote the adsorption of NH₃, which is beneficial to SCR reaction. The doping of Ti increases the energy barrier of NO₂ formation and reduces the SCR reaction of γ-Fe₂O₃ at low temperature. The doping of Ti can inhibit the formation of NH and N, avoid the excessive oxidation of NH₃, and improve the utilization of NH₃, which are beneficial to the SCR reaction by suppressing the N₂O produced by the E-R mechanism and enhancing the selectivity to N₂. As a result, the Ti doping can significantly improve catalytic performance of γ-Fe₂O₃ in the NH₃-SCR of NO.
- NH₃-SCR /
- γ-Fe₂O₃ /
- Ti doping /
- DFT

HTML全文

下载: 全尺寸图片幻灯片

图 1 γ-Fe₂O₃的晶胞示意图

Figure 1 Unit cell of γ-Fe₂O₃

下载: 全尺寸图片幻灯片

图 2 γ-Fe₂O₃(001)表面结构示意图

Figure 2 Structure of the γ-Fe₂O₃(001) surface

(a): front view; (b): top view

下载: 全尺寸图片幻灯片

图 3 Ti掺杂的催化剂俯视图

Figure 3 Top view of Ti-doped catalyst

下载: 全尺寸图片幻灯片

图 4 氧分子在γ-Fe₂O₃、Ti-γFe₂O₃和2Ti-γFe₂O₃表面的吸附优化模型

Figure 4 Optimized models of O₂ adsorbed on γ-Fe₂O₃ and Ti modified γ-Fe₂O₃

(a):horizontal adsorption of O₂ on γ-Fe₂O₃; (b):vertical adsorption of O₂ on γ-Fe₂O₃; (c):horizontal adsorption of O₂ on Ti-γFe₂O₃; (d):vertical adsorption of O₂ on Ti-γFe₂O₃; (e):horizontal adsorption of O₂ on 2Ti-γFe₂O₃; (f):vertical adsorption of O₂ on 2Ti-γFe₂O₃

下载: 全尺寸图片幻灯片

图 5 NH₃在γ-Fe₂O₃、Ti-γFe₂O₃和2Ti-γFe₂O₃表面的优化吸附模型

Figure 5 Optimized models of NH₃ adsorbed on γ-Fe₂O₃ and Ti modified γ-Fe₂O₃

(a): NH₃ adsorbed on γ-Fe₂O₃(oct site); (b): NH₃ adsorbed on Ti-γFe₂O₃(oct site); (c): NH₃ adsorbed on 2Ti-γFe₂O₃(oct site); (d): NH₃ adsorbed on γ-Fe₂O₃(tet site); (e): NH₃ adsorbed on Ti-γFe₂O₃(tet site); (f): NH₃ adsorbed on 2Ti-γFe₂O₃(tet site); (g): NH₃ adsorbed on γ-Fe₂O₃(O site); (h): NH₃ adsorbed on Ti-γFe₂O₃(O site); (i): NH₃ adsorbed on 2Ti-γFe₂O₃(O site)

下载: 全尺寸图片幻灯片

图 6 NO分子在γ-Fe₂O₃、Ti-γFe₂O₃和2Ti-γFe₂O₃表面的优化吸附模型示意图

Figure 6 Optimized models of NO adsorbed on γ-Fe₂O₃ and Ti modified γ-Fe₂O₃

(a): NO adsorbed on γ-Fe₂O₃ (N); (b): NO adsorbed on Ti-γFe₂O₃ (N); (c): NO adsorbed on 2Ti-γFe₂O₃ (N); (d): NO adsorbed on γ-Fe₂O₃ (O); (e): NO adsorbed on Ti-γFe₂O₃ (O); (f): NO adsorbed on 2Ti-γFe₂O₃ (O)

下载: 全尺寸图片幻灯片

图 7 γ-Fe₂O₃上NH₃脱氢反应的势能图和优化结构示意图

Figure 7 Potential energy diagram and optimized structures of NH₃ dehydrogenation reaction over γ-Fe₂O₃

下载: 全尺寸图片幻灯片

图 8 Ti-γFe₂O₃上NH₃脱氢反应的势能图和优化结构示意图

Figure 8 Potential energy diagram and optimized structures of NH₃ dehydrogenation reaction over Ti-γFe₂O₃

下载: 全尺寸图片幻灯片

图 9 γ-Fe₂O₃上NO₂生成的能量分布和相应的优化结构

Figure 9 Energy profiles and corresponding optimized structures of NO₂ formation over γ-Fe₂O₃

下载: 全尺寸图片幻灯片

表 1 模型平均键长的计算值和文献值对比

Table 1 Calculated average bond lengths in the model compared with those reported in the literature

Species	Bond type	Bond length/Å
Species	Bond type	calculated	literature
O₂	r(O-O)	1.237	1.208^[21]
NO	r(N-O)	1.197	1. 151^[22]
NH₃	r(N-H)	1.028	1.012^[23]

下载: 导出CSV

表 2 O₂吸附在γ-Fe₂O₃、Ti-γFe₂O₃和2Ti-γFe₂O₃表面的优化构型和吸附能

Table 2 Optimized geometries and adsorption energies of O₂ adsorbed on γ-Fe₂O₃ and Ti modified γ-Fe₂O₃

		E_ads /eV	O₁-O₂ /Å	A-O₁ /Å	D-O₂ /Å	ΔQ /e
γ-Fe₂O₃	A	-0.93	1.319	2.026	2.039	-0.38
	B	-0.45	1.245		2.289	-0.06
Ti-γFe₂O₃	C	-1.27	1.398	1.949	1.906	-0.63
	D	-0.81	1.285		1.857	-0.33
2Ti-γFe₂O₃	E	-1.96	1.430	1.911	1.911	-0.66
	F	-0.89	1.291		1.839	-0.35

下载: 导出CSV

表 3 γ-Fe₂O₃、Ti-γFe₂O₃和2Ti-γFe₂O₃表面NH₃吸附的优化构型和吸附能

Table 3 Optimized geometries and adsorption energies of NH₃ adsorbed on γ-Fe₂O₃ and Ti modified γ-Fe₂O₃

Adsorption site	E_ads /eV	D-N /Å	E-N /Å	O-H /Å
γ-Fe₂O₃(oct site)	-1.01	2.193
γ-Fe₂O₃(tet site)	0.10		3.279
γ-Fe₂O₃(O site)	-0.16			2.262
Ti-γFe₂O₃(oct site)	-1.26	2.278
Ti-γFe₂O₃(tet site)	-0.12		3. 311
Ti-γFe₂O₃(O site)	-0.16			2.260
2Ti-γFe₂O₃(oct site)	-1.24	2.271
2Ti-γFe₂O₃(tet site)	-0.13		3.377
2Ti-γFe₂O₃(O site)	-0.16			2.248

下载: 导出CSV

表 4 NH₃吸附在催化剂表面的Mulliken电荷布局

Table 4 Mulliken atomic charge populations for NH₃ adsorption on catalyst surfaces

Charge/ e	N	H₁	H₂	H₃	NH₃
γ-Fe₂O₃(oct site)	-1.10	0.39	0.38	0.38	0.05
γ-Fe₂O₃(tet site)	-1.12	0.38	0.38	0.37	0.01
γ-Fe₂O₃(O site)	-1.10	0.31	0.37	0.38	-0.04
Ti-γFe₂O₃(oct site)	-1.09	0.38	0.37	0.38	0.04
Ti-γFe₂O₃(tet site)	-1.10	0.37	0.38	0.37	0.02
Ti-γFe₂O₃(O site)	-1.10	0.31	0.37	0.37	-0.05
2Ti-γFe₂O₃(oct site)	-1.09	0.38	0.37	0.38	0.04
2Ti-γFe₂O₃(tet site)	-1.11	0.38	0.38	0.37	0.02
2Ti-γFe₂O₃(O site)	-1.10	0.30	0.36	0.37	-0.07

下载: 导出CSV

表 5 NO吸附在催化剂表面的优化构型和吸附能

Table 5 Optimized geometries and adsorption energies of NO adsorbed on catalyst surfaces

	E_ads /eV	D-N /Å	D-O /Å	N-O /Å	ΔQ /e
γ-Fe₂O₃(001)(N)	-1.95	1.639		1.190	-0.05
Ti-γFe₂O₃(001)(N)	-1.10	1.938		1.212	-0.22
2Ti-γFe₂O₃(001)(N)	-1.15	1.925		1.214	-0.24
γ-Fe₂O₃(001)(O)	-0.52		1.759	1.205	-0.07
Ti-γe₂O₃(001)(O)	-0.57		1.920	1.249	-0.28
2Ti-γFe₂O₃(001)(O)	-0.65		1.906	1.253	-0.29

下载: 导出CSV

参考文献(37)

[1]	李颖, 牛胜利, 路春美, 王家兴, 彭建升.生物质再燃异相还原NO的分子模拟[J].燃料化学学报, 2020, 48(6):689-697. http://www.ccspublishing.org.cn/article/id/c46d5c07-4145-4f3d-a991-d228e038f4fe LI Ying, NIU Sheng-li, LU Chun-mei, WANG Jia-xing, PENG Jian-sheng. Molecular simulation study of NO heterogeneous reduction by biomass reburning[J]. J Fuel Chem Technol, 2020, 48(6):689-697. http://www.ccspublishing.org.cn/article/id/c46d5c07-4145-4f3d-a991-d228e038f4fe
[2]	束航, 张玉华, 杨林军, 刘亚明, 李方勇, 徐齐胜, 盘思伟. SCR烟气脱硝对PM_2.5排放特性的影响机制研究[J].燃料化学学报, 2015, 43(12):1510-1515. http://www.ccspublishing.org.cn/article/id/100033461 SHU Hang, ZHANG Yu-hua, YANG Lin-jun, LIU Ya-ming, LI Fang-yong, XU Qi-sheng, PAN Si-wei. Effects of SCR-DeNO_x system on emission characteristics of fine particles[J]. J Fuel Chem Technol, 2015, 43(12):1510-1515. http://www.ccspublishing.org.cn/article/id/100033461
[3]	LI Y H, DENG J L, SONG W Y, LIU J, ZHAO Z, GAO M L, WEI Y C, ZHAO L. Nature of Cu Species in Cu-SAPO-18 catalyst for NH₃-SCR:Combination of experiments and DFT calculations[J]. J Phys Chem C, 2016, 120(27):14669-14680. doi: 10.1021/acs.jpcc.6b03464
[4]	蔺卓玮, 陆强, 唐昊, 李慧, 董长青, 杨勇平.平板式V₂O₅-MoO₃/TiO₂型SCR催化剂的中低温脱硝和抗中毒性能研究[J].燃料化学学报, 2017, 45(1):113-122. http://www.cnki.com.cn/article/cjfdtotal-rlhx201701016.htm LIN Zhuo-wei, LU Qiang, TANG Hao, LI Hui, DONG Chang-qing, YANG Yong-ping. Research on the middle-low temperature denitration and anti-poisoning properties of plate V₂O₅-MoO₃/TiO₂ SCR catalysts[J]. J Fuel Chem Technol, 2017, 45(1):113-122. http://www.cnki.com.cn/article/cjfdtotal-rlhx201701016.htm
[5]	HUSNAIN N, WANG E L, LI K, ANWAR M T, MEHMOOD A, GUL M, LI D L, MAO J D. Iron oxide-based catalysts for low-temperature selective catalytic reduction of NO_x with NH₃[J]. Rev Chem Eng, 2018, 35(2):239-264. doi: 10.1515/revce-2017-0064
[6]	王芳, 姚桂焕, 归柯庭.铁基催化剂选择性催化还原烟气脱硝特性比较研究[J].中国电机工程学报, 2009, 29(29):49-53. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb200929009 WANG Fang, YAO Gui-huan. GUI Ke-ting. Comparison about selective catalytic reduction of de-NO_x on iron-based magnetic materials[J]. Proc CSEE, 2009, 29(29):49-53. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb200929009
[7]	LIANG H, GUI K T, ZHA X B. DRIFTS study of γFe₂O₃ nano-catalyst for low-temperature selective catalytic reduction of NO_x with NH₃[J]. Can J Chem Eng, 2016, 94(9):1668-1675. doi: 10.1002/cjce.22546
[8]	彭建升, 王栋, 张信莉, 路春美, 牛胜利, 李婧, 徐丽婷.磁性γ-Fe₂O₃催化剂NH₃-SCR脱硝反应动力学研究[J].中国电机工程学报, 2015, 35(18):4690-4696. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb201518015 PENG Jian-sheng, WANG Dong, ZHANG Xin-li, LU Chun-mei, NIU Sheng-li, LI Jing, XU Li-ting. Kinetic study of selective catalytic reduction of NO_x by NH₃ on magnetic γ-Fe₂O₃ catalyst[J]. Proc CSEE, 2015, 35(18):4690-4696. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb201518015
[9]	YANG S J, LI J H, WANG C Z, CHEN J H, MA L, CHANG H Z, CHEN L, YUE P, YAN N Q. Fe-Ti spinel for the selective catalytic reduction of NO with NH₃:Mechanism and structure-activity relationship[J]. Appl Catal B:Environ, 2012, 117-118:73-80. doi: 10.1016/j.apcatb.2012.01.001
[10]	王栋, 吴惊坤, 牛胜利, 路春美, 徐丽婷, 于贺伟, 李婧. Sn, Ti掺杂改性γ-Fe₂O₃催化剂结构及NH₃-SCR脱硝活性研究[J].燃料化学学报, 2015, 43(7):876-883. http://www.ccspublishing.org.cn/article/id/100033375 WANG Dong, WU Jing-kun, NIU Sheng-li, LU Chun-mei, XU Li-ting, YU He-wei, LI Jing. Structural property of γ-Fe₂O₃ catalysts doped with Sn and Ti and their activity in the selective catalytic reduction of NO_x[J]. J Fuel Chem Technol, 2015, 43(7):876-883. http://www.ccspublishing.org.cn/article/id/100033375
[11]	LU W, CUI S P, GUO H X. Study the low-temperature SCR property of M-doped (M=Ni, Cr, Co, Se, Sn) MnO₂(100) through density functional theory (DFT):Improvement of sulfur poisoning resistance[J]. Mol Catal, 2018, 459:31-37. doi: 10.1016/j.mcat.2018.08.020
[12]	LIU Z M, MA L L, JUNAID A S M. NO and NO₂ adsorption on Al₂O₃ and Ga modified Al₂O₃ surfaces:A density functional theory study[J]. J Phys Chem C, 2010, 114(10):4445-4450. doi: 10.1021/jp907925w
[13]	ZHANG X P, LI Z F, ZHAO J J, CUI Y Z, TAN B J, WANG J X, ZHANG C X, HE G H. Mechanism of Ce promoting SO₂ resistance of MnO_x/γ-Al₂O₃:An experimental and DFT study[J]. Korean J Chem Eng, 2017, 34(7):1-7. doi: 10.1007/s11814-017-0092-3
[14]	REN D D, GUI K T. Study of the adsorption of NH₃ and NO_x on the nano-γFe₂O₃ (001) surface with density functional theory[J]. Appl Surf Sci, 2019, 487:171-179. doi: 10.1016/j.apsusc.2019.04.250
[15]	REN D D, GUI K T, GU S C, WEI Y L. Study of the nitric oxide reduction of SCR-NH₃ on γ-Fe₂O₃ catalyst surface with quantum chemistry[J]. Appl Surf Sci, 2020, 509:144659. doi: 10.1016/j.apsusc.2019.144659
[16]	JΦRGENSEN J E, MOSEGAARD L, THOMSEN L E, JENSEN T R, HANSON J C. Formation of γ-Fe₂O₃ nanoparticles and vacancy ordering:An in situ X-ray powder diffraction study[J]. J Solid State Chem, 2007, 180(1):180-185. http://www.sciencedirect.com/science/article/pii/S0022459606005342
[17]	JIAN W, WANG S P, ZHANG H X, BAI F Q. Disentangling the role of oxygen vacancies on the surface of Fe₃O₄ and γ-Fe₂O₃[J]. Inorg Chem Front, 2019, 6(10):2660-2666. doi: 10.1039/C9QI00351G
[18]	BAETZOLD R C, YANG H. Computational study on surface structure and crystal morphology of γ-Fe₂O₃:Toward deterministic synthesis of nanocrystals[J]. J Phys Chem B, 2003, 107(51):14357-14364. doi: 10.1021/jp035785k
[19]	GUO P, GUO X, ZHENG C G. Roles of γ-Fe₂O₃ in fly ash for mercury removal:Results of density functional theory study[J]. Appl Surf Sci, 2010, 256(23):6991-6996. doi: 10.1016/j.apsusc.2010.05.013
[20]	SEGALL M D, LINDAN P J D, PROBERT M J, PICKARD C J, HASNIP P J, CLARK S J, PAYNE M C. First-principles simulation:Ideas, illustrations and the CASTEP code[J]. J Phys-Condens Matter, 2002, 14(11):2717. doi: 10.1088/0953-8984/14/11/301
[21]	HUBER K P, HERZBERG G. Molecular spectra and molecular structure:Ⅳ. Constants of diatomic molecules[M]. New York:Springer Science & Business Media, 2013.
[22]	李淑萍, 孟江, 王继刚. NO在金属Ben(n=2-12)团簇表面的平行吸附[J].原子与分子物理学报, 2019, 36(2):240-245. http://www.cnki.com.cn/Article/CJFDTotal-YZYF201902011.htm LI Shu-ping, MENG Jiang, WANG Ji-gang. Parallel adsorption for NO on the surfaces of Ben (n=2-12) clusters[J]. J At Mol Phys, 2019, 36(2):240-245. http://www.cnki.com.cn/Article/CJFDTotal-YZYF201902011.htm
[23]	LIDE D R. CRC Handbook of Chemistry and Physics[M]. 81st. Boca Raton:CRC Press, 2000.
[24]	LYU Z K, NIU S L, LU C M, ZHAO G J, GONG Z Q, ZHU Y. A density functional theory study on the selective catalytic reduction of NO by NH₃ reactivity of α-Fe₂O₃ (001) catalyst doped by Mn, Ti, Cr and Ni[J]. Fuel, 2020, 267:117147. doi: 10.1016/j.fuel.2020.117147
[25]	BENTARCURT Y L, CALATAYUD M, KLAPP J, RUETTE F. Periodic density functional theory study of maghemite (001) surface. Structure and electronic properties[J]. Surf Sci, 2018, 677:239-253. doi: 10.1016/j.susc.2018.06.005
[26]	张倩. NH₃及NO在Fe掺杂MnO₂(110)表面吸附行为的密度泛函理论研究[D].太原: 太原理工大学, 2015. ZHANG Qian. DFT study of NH₃ and NO adsorption behavior on Fe doping MnO₂(110) surface[D]. Taiyuan: Taiyuan University of Technology, 2015.
[27]	厉志鹏, 牛胜利, 赵改菊, 韩奎华, 李英杰, 路春美, 程屾. Sr掺杂对CaO (100)表面吸附甲醇影响的分子模拟[J].燃料化学学报, 2020, 48(2):172-178. http://www.ccspublishing.org.cn/article/id/798fb962-9661-4838-b806-274ba783fec8 LI Zhi-peng, NIU Sheng-li, ZHAO Gai-ju, HAN Kui-hua, LI Ying-jie, LU Chun-mei, CHENG Shen. Molecular simulation study of strontium doping on the adsorption of methanol on CaO(100) surface[J]. J Fuel Chem Technol, 2020, 48(2):172-178. http://www.ccspublishing.org.cn/article/id/798fb962-9661-4838-b806-274ba783fec8
[28]	YUAN R M, FU G, XU X, WAN H L. Brønsted-NH₄⁺ mechanism versus nitrite mechanism:new insight into the selective catalytic reduction of NO by NH₃[J]. Phys Chem Chem Phys, 2011, 13(2):453-460. doi: 10.1039/C0CP00256A
[29]	胡海鹏, 王学涛, 张兴宇, 苏晓昕, 杨晓东, 史瑞华. Fe-Cu/ZSM-5催化剂的NH₃-SCR脱硝性能[J].燃料化学学报, 2018, 46(2):225-232. https://www.zhangqiaokeyan.com/academic-journal-cn_journal-fuel-chemistry-technology_thesis/0201247838694.html HU Hai-peng, WANG Xue-tao, ZHANG Xing-yu, SU Xiao-xin, YANG Xiao-dong, SHI Rui-hua. Performance of Fe-Cu/ZSM-5 catalyst in the deNO_x process via NH₃-SCR[J]. J Fuel Chem Technol, 2018, 46(2):225-232. https://www.zhangqiaokeyan.com/academic-journal-cn_journal-fuel-chemistry-technology_thesis/0201247838694.html
[30]	梁辉, 查贤斌, 归柯庭. γFe₂O₃的选择性催化还原脱硝性能及其对NH₃和NO的表面吸附行为研究[J].中国电机工程学报, 2014, 34(32):5734-5740. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb201432006 LIANG Hui, CHA Xian-bin, GUI Ke-ting. A study of selective catalysis reduction denitration performance and adsorption of NH₃ and NO over γFe₂O₃ catalyst[J]. Proc CSEE, 2014, 34(32):5734-5740. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=zgdjgcxb201432006
[31]	YANG S J, CHANG H Z, MA L, QU Z, YAN N Q, WANG C Z, LI J H. Improvement of the activity of γ-Fe₂O₃ for the selective catalytic reduction of NO with NH₃ at high temperatures:NO reduction versus NH₃ oxidization[J]. Ind Eng Chem Res, 2013, 52(16):5601-5610. doi: 10.1021/ie303272u
[32]	BUSCA G, LIETTI L, RAMIS G, BERTI F. Chemical and mechanistic aspects of the selective catalytic reduction of NO_x by ammonia over oxide catalysts:A review[J]. Appl Catal B:Environ, 1998, 18(1/2):1-36. http://www.sciencedirect.com/science/article/pii/S092633739800040X
[33]	厉志鹏, 牛胜利, 韩奎华, 路春美.掺杂改性对钙铝基复合物酯交换催化剂吸附性能影响的分子模拟[J].化工学报, 2020, 71(8):3625-3632. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202008024 LI Zhi-peng, NIU Sheng-li, HAN Kui-hua, LU Chun-mei. Molecular simulation of the effect of doping modification on the adsorption properties of calcium-aluminum-based composites ester exchange catalysts[J]. CIESC, 2020, 71(8):3625-3632. http://www.wanfangdata.com.cn/details/detail.do?_type=perio&id=hgxb202008024
[34]	GUO M Y, ZHAO P P, LIU Q L, LIU C X, HAN J F, JI N, SONG C F, MA D G, LU X B, LIANG X Y, LI Z G. Improved low-temperature activity and H₂O resistance of Fe-doped Mn-Eu catalysts for NO removal by NH₃-SCR[J]. ChemCatChem, 2019, 11(19):4954-4965. doi: 10.1002/cctc.201900979
[35]	TRONCONI E, NOVA I, CIARDELLI C, CHATTERJEE D, WEIBEL M. Redox features in the catalytic mechanism of the "standard" and "fast" NH₃-SCR of NO_x over a V-based catalyst investigated by dynamic methods[J]. J Catal, 2007, 245(1):1-10. http://www.sciencedirect.com/science/article/pii/S002195170600323X
[36]	戚飞鸿. Fe-Ti尖晶石低温SCR性能的改进[D].南京: 南京理工大学, 2016. QI Fei-hong. Improvement of the activity of Fe-Ti spinel for the selective catalytic reduction of NO with NH₃ at low temperatures[D]. Nanjing: Nanjing University of Science and Technology, 2016.
[37]	杜晓瑞.铁基尖晶石催化NO还原的实验与机理研究[D].武汉: 华中科技大学, 2019. DU Xiao-rui. Experimental and mechanistic studies on catalytic reduction of NO by iron-based spinel[D]. Wuhan: Huazhong University of Science and Technology, 2019.