一、基金项目
1. 国家自然科学基金面上项目，No. 22278296，ZSM-5分子筛催化甲醇制芳烃过程中长链烯烃芳构化的过渡态择形效应，主持，2023-2026
2. 国家自然科学基金面上项目，No. 21576178，CO氧化偶联制草酸二甲酯Pd催化剂的结构调变与活性调控，主持，2016-2019
3. 国家自然科学青年基金，No. 21103120，热解和气化煤气中H2S和Hg同时脱除的理论研究，主持，2012-2014
4. 国家重点研发计划子课题，No. 2022YFC3902503，钙基复合材料催化低阶煤-污泥协同固硫控氮及固化重金属技术，2023-2026
5. 山西省自然科学基金面上项目，No. 20210302123094，分子筛上甲醇制芳烃过程中择形效应对反应选择性的影响，主持，2022-2024
6. 中国博士后基金面上项目，No. 2012M520608，铁基氧化物对煤气中H2S和Hg同时脱除的微观动力学研究，主持，2012-2013
7. 山西省回国留学人员科研资助项目，Pd基催化剂同时脱除燃煤烟气中NO和Hg的微观机理，主持，2016-2019
8. 山西省高等学校青年学术带头人项目，活性炭改性脱除煤气中单质Hg的理论研究，主持，2014-2017
9. 中科院煤化所开放基金，CO氧化偶联制草酸二甲酯Pd基双金属催化剂的构效关系，主持，2018-2019
10.国家自然科学基金，No. 20976115，热解和气化煤气中含硫化合物的转化和脱除，参与，2010-2012
二、代表性论文
1. Jing Wang, Jialing Ma, Lixia Ling*, Yang Zhang, Riguang Zhang, Xiaohua Shen, Xiaofeng Li, Baojun Wang*. The active site for dehydrogenation and cyclization on Zn2+/HZSM-5 catalyst aiming at long-chain C6 mono-olefins aromatization. Fuel, 2024, 357, 131362.
2. Panyue Liu, Jing Wang, Lixia Ling*, Xiaohua Shen, Xiaofeng Li, Riguang Zhang, Baojun Wang*. Suitable location of Lewis acid over ZnOH+/HZSM-5 catalysts effectively enhance dehydrogenation activity and catalyze the aromatization process of C6 olefins in MTA. Fuel, 2024, 357, 130000.
3. Wenbin Chen, Hui Zhang, Lixia Ling*, Yang Zhang, Xiaohua Shen, Xiaofeng Li, Riguang Zhang, Baojun Wang*. The role of Ni-containing species on methanol-toluene methylation to p-xylene over ZSM-5 zeolite. Microporous and Mesoporous Materials, 2024, 366, 112964.
4. Yunya Guo, Jingjing Zhang, Na Sun, Lixia Ling *, Riguang Zhang, Heqin Guo, Debao Li, Baojun Wang*. Ethylene carbonate generated efficiently via ethylene oxide and CO2 on the Li-MgO(100) surface based on the synergistic activation of bimetals without halogen. Fuel, 2023, 342: 127823.
5. Lifei Yin, Jialing Ma, Lixia Ling,*, Riguang Zhang, Guochun Yan, Jianli Wang, Weimin Lu, Yi Li, Baojun Wang*. Insight into the hydrodenitrogenation mechanism of quinoline on the MoP (010) surface with and without the effect of sulfur. Molecular Catalysis, 2023, 538: 112970.
6. Zhao Juan, Han Min, Wang Zhanhui, Ling Lixia*, Zhang Riguang, Wang Baojun*. The regulating effect of doping Cu on the catalytic performance of CO oxidative coupling to DMO on PdxCuy/GDY: a DFT study. Green Energy & Environment. 2022, 7: 742-754.
7. Zhongzhong Xue, Panyue Liu, Ning Li, Lixia Ling*, Ping Liu*, Xiaohua Shen, Riguang Zhang, Baojun Wang*. Effect of ZSM–5 with different active centers on methane partial oxidation. Molecular Catalysis. 2022, 524: 112308.
8. Juan Zhao, Lifei Yin, Lixia Ling*, Riguang Zhang, Maohong Fan, Baojun Wang*. A predicted new catalyst to replace noble metal Pd for CO oxidative coupling to DMO. Catalysis Science &Technology. 2022, 12: 2542-2554.
9. Wei Zhang, Ye Liu, Ailian Wu , Lixia Ling*, Zhongde Wang* ,Xiaogang Hao, Guoqing Guan. An electrochemically switched ion exchange α-ZrP/PPy film as a Synergistically catalytic and anchoring material towards lithium-sulfur battery design, Electrochimica Acta, 2022, 403: 139609.
10. Min Han, Zhongzhong Xue, Lixia Ling*, Riguang Zhang, Maohong Fan, Baojun Wang*. Effect of Lewis/Brønsted acid sites in HZSM-5 zeolite on the selectivity of para-xylene during methylation of toluene with methanol. Molecular Catalysis, 2021, 509: 111622.
11. Jiawang Chen, Zhanhui Wang, Juan Zhao, Lixia Ling*, Riguang Zhang, Baojun Wang*. The active site of ethanol formation from syngas over Cu4 cluster modified MoS2 catalyst: A theoretical investigation. Applied Surface Science, 2021, 540: 148301.
12. 张芳芳, 韩敏, 赵娟, 凌丽霞*, 章日光, 王宝俊. 单空缺石墨烯负载的Pd单原子催化剂上NO还原的密度泛函理论研究. 化工学报, 2021, 72(3): 1382-1391.
13. 王占慧, 凌丽霞*, 王俊刚, 孙德魁, 侯博, 李德宝, 章日光, 王宝俊. 合成气制乙醇RhCu双金属催化剂活性位点的作用机制研究. 燃料化学学报，2021, 49(3): 358-365.
14. Lixia Ling*, Yueting Cao, Min Han, Ping Liu, Riguang Zhang, Baojun Wang*. Catalytic performance of Pdn(n=1 ,2, 3, 4 and 6) clusters supported on TiO2-v for the formation of dimethyl oxalate via the CO catalytic coupling reaction: a theoretical study. Physical Chemistry Chemical Physics, 2020, 22: 4549-4560.
15. Yueting Cao, Lixia Ling*, Hao Lin, Maohong Fan, Ping Liu, Riguang Zhang, Baojun Wang*. DFT study on CO oxidative coupling to DMO over Pd4/TiO2 and Pd4/TiO2-Ov: A role of oxygen vacancy on support. Computational Materials Science, 2019, 159: 1-11.
16. Lixia Ling, Hao Lin, Bingying Han, Ping Liu, Riguang Zhang, Baojun Wang*. Insight into the effect of surface structure for Pd catalyst on CO oxidative coupling to dimethyl oxalate. Molecular Catalysis, 2019, 470: 19-31.
17. Xue Feng, Lixia Ling*, Yueting Cao, Riguang Zhang, Maohong Fan, and Baojun Wang*. A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped CoreShell Pd Clusters. Journal of Physical Chemistry C, 2018, 122: 1169-1179.
18. Bing ying Han, Xue Feng, Lixia Ling*, Maohong Fan, Ping Liu, Riguang Zhang, Baojun Wang*. CO oxidative coupling to dimethyl oxalate over Pd–Me (Me = Cu, Al) catalysts: a combined DFT and kinetic study. Physical Chemistry Chemical Physics, 2018, 20: 7317-7332.
19. Lixia Ling, Zhongbei Zhao, Xue Feng, Qiang Wang, Baojun Wang*. Riguang Zhang, Debao Li. Insight into the reduction of NO by H2 on the stepped Pd(211) surface, Journal of Physical Chemistry C, 2017, 121(30): 16399-16414.
20. Lixia Ling, Zhongbei Zhao, Senpeng Zhao, Qiang Wang, Baojun Wang*. Riguang Zhang, Debao Li. Effects of metals doping on the removal of Hg and H2S over ceria, Applied Surface Science, 2017, 403: 500-508.
21 . Lixia Ling, Lili Fan, Xue Feng, Baojun Wang*, Riguang Zhang. Effects of the size and Cu modulation of Pdn (n38) clusters on Hg0 adsorption, Chemical Engineering Journal, 2017, 308: 289-298.
22. Lixia Ling, Zhongbei Zhao, Baojun Wang*, Maohong Fan, Riguang Zhang. Effects of CO and CO2 on the desulfurization of H2S using a ZnO sorbent: a density functional theory study, Physical Chemistry Chemical Physics, 2016, 18: 11150-11156.
23. Lixia Ling, Maohong Fan*, Baojun Wang*, Riguang Zhang. Application of computational chemistry in understanding the mechanisms of mercury removal technologies: a review, Energy & Environmental Science, 2015, 8: 3109-3133.
24. Lixia Ling, Senpeng Zhao, Peide Han, Baojun Wang*, Riguang Zhang, Maohong Fan. Toward predicting the mercury removal by chlorine on the ZnO surface, Chemical Engineering Journal, 2014, 244: 364-371.
三、授权专利
1.凌丽霞、吴建兵，一种超支化聚合物改性纳米二氧化硅杂化材料的制备方法，中国，ZL 2013 1 0716810.2
2.凌丽霞、郑可心、吴建兵，自消光光固化树脂及其制备方法和光固化组合物，中国，ZL 2022 1 0823831.3
四、出版专著
《煤热解及煤气脱硫机理》和《草酸二甲酯合成催化剂的分子设计》
