凌丽霞 博士
博士生导师
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学科：
化学工程与技术


研究方向：
·从事量子化学应用方面的研究工作，研究方向为煤气中污染物脱除的理论研究以及碳一反应过程中催化剂的结构调变与性能调控，主要采用理论计算的方法对反应机理进行探索，对催化剂进行筛选改性，并在电子-分子层面深入分析，为设计高效催化剂提供理论线索。





邮箱：linglixia@tyut.edu.cn
地址：多学科楼九层





个人简介
教育教学
科学研究
凌丽霞，女，1982年1月出生于山西晋城。2004年毕业于山西大学化学化工学院化学专业，获理学学士学位；2010年毕业于太原理工大学煤科学与技术教育部和山西省重点实验室化学工程与技术专业，获工学博士学位。2010-2013年于太原理工大学材料科学与工程学院进行博士后工作；2014-2015年于美国怀俄明大学石油与化工系进行国家公派访问****工作。

1.主讲课程
本科生课程：《物理化学》、《应用化学专业外语》
硕士研究生课程：《量子化学》
2.获奖情况
(1)2014年 山西省优秀青年学术带头人
(2)2014年 山西省高校“131”领军人才
(3)2018年 山西省优秀硕士研究生指导教师
(4)2019年 “三晋英才”支持计划青年优秀人才

1. 学术论文
1. 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
2. Han Bingying; Ling Lixia*; Fan Maohong; Liu Ping; Wang Baojun*; Zhang Riguang; A DFT study and microkinetic analysis of CO oxidation to dimethyl oxalate over Pd stripe and Pd single atom-doped Cu(111) surfaces. Applied Surface Science, 2019, 465: 1057-1067
3. Ling Lixia; Lin Hao; Han Bingying; Liu Ping; Zhang Riguang; Wang Baojun*; Insight into the effect of surface structure for Pd catalyst on CO oxidative coupling to dimethyl oxalate. Molecular Catalysis. 2019, 470: 19-31
4. Feng Xue; Ling Lixia*; Cao Yueting; Zhang Riguang; Fan Maohong; Wang Baojun*; A DFT Study on the Catalytic CO Oxidative Coupling to DimethylOxalate on Al-Doped Core?Shell Pd Clusters. Journal of Physical Chemistry C, 2018, 122: 1169-1179
5. Han Bingying; Feng Xue; Ling Lixia*; Fan Maohong; Liu Ping; Zhang Riguang; Wang Baojun *; CO oxidative coupling to dimethyl oxalate overPd–Me (Me = Cu, Al) catalysts: a combined DFTand kinetic study. Physical Chemistry Chemical Physics, 2018, 20: 7317-7332
6. Ling Lixia; Feng Xue; Cao Yueting; Liu Ping; Fan Maohong; Zhang Riguang; Wang Baojun*; The catalytic CO oxidative coupling to dimethyl oxalate on Pd clusters anchored on defected graphene: A theoretical study. Molecular Catalysis, 2018, 453: 100-112
7. Ling Lixia; Cao Yueting; Zhao Zhongbei; Liu Ping; Wang Baojun*; Zhang Riguang; Li Debao; Density functional theory calculations and analysis for the reduction of NO by H2 on Pd6/TiO2. Computational Materials Science, 2018, 149: 182-190
8. Ling Lixia; Wang Qiang; Zhang Riguang; Li Debao*; Wang Baojun*; Formation of C2 oxygenates and ethanol from syngas on an Fe-decorated Cu-based catalyst: insight into the role of Fe as a promoter, Physical Chemistry Chemical Physics, 2017, 19: 30883-30894
9. Ling Lixia; Zhao Zhongbei; Feng Xue; Wang Qiang; Wang Baojun*. Zhang Riguang; Li Debao; Insight into the reduction of NO by H2 on the stepped Pd(211) surface, Journal of Physical Chemistry C, 2017, 121(30): 16399-16414
10. Ling Lixia; Zhao Zhongbei; Zhao Senpeng; Wang Qiang; Wang Baojun*. Zhang Riguang; Li Debao; Effects of metals doping on the removal of Hg and H2S over ceria, Applied Surface Science, 2017, 403: 500-508
11. Ling Lixia; Fan Lili; Feng Xue; Wang Baojun*; Zhang Riguang; Effects of the size and Cu modulation of Pdn (n≤38) clusters on Hg0 adsorption, Chemical Engineering Journal, 2017, 308: 289-298
12. Fan Lili; Ling Lixia; Wang Baojun*; Zhang Riguang; The adsorption of mercury species and catalytic oxidation of Hg0 on the metal-loaded activated carbon, Applied Catalysis A: General, 2016, 520: 13–23 2016-6-25
13. Ling Lixia; Zhao Zhongbei; Wang Baojun*; Fan Maohong; Zhang Riguang; 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
14. Zhao Senpeng; Ling Lixia; Wang Baojun *; Zhang Riguang; Li Debao; Wang Qiang; Wang Jiancheng; Theoretic insight into the desulfurization mechanism: removal of H2S by ceria (110), Journal of Physical Chemistry C, 2015, 119: 7678–7688
15. Ling Lixia; Fan Maohong*; Wang Baojun*; Zhang Riguang; Application of computational chemistry in understanding the mechanisms of mercury removal technologies: a review, Energy & Environmental Science, 2015, 8: 3109-3133
16. Ling Lixia; Zhao Senpeng; Han Peide; Wang Baojun*; Zhang Riguang; Fan Maohong; Toward predicting the mercury removal by chlorine on the ZnO surface, Chemical Engineering Journal, 2014, 244: 364-371
17. Ling Lixia; Han Peide; Wang Baojun*; Zhang Riguang; Theoretical prediction of simultaneous removal efficiency of ZnO for H2S and Hg0 in coal gas. Chemical Engineering Journal, 2013, 231: 388-396
18. Ling Lixia; Han Peide; Wang Baojun *; Zhang Riguang; DFT study on the regeneration mechanism of ZnO surface during the desulfurization of H2S, Fuel Processing Technology, 2013, 109: 49-56
19. Ling Lixia; Zhang Riguang; Han Peide; Wang Baojun*; DFT study on the sulfurization mechanism during the desulfurization of H2S on the ZnO desulfurizer, Fuel Processing Technology, 2013, 106: 222-230
20. Ling Lixia; Wu Jianbing; Song Jiajia; Han Peide; Wang Baojun*; The adsorption and dissociation of H2S on the oxygen-deficient ZnO(101(—)0) surface: A density functional theory study, Computational and Theoretical Chemistry, 2012, 1000: 26-32
21. Ling Lixia; Zhang Riguang; Han Peide; Wang Baojun*. A theoretical study on the hydrolysis mechanism of carbon disulfide, Journal of Molecular Modeling, 2012, 18(4): 1625-1632
22. Ling Lixia; Zhang Riguang; Wang Baojun*; Xie Kechang; DFT study on the sulfur migration during benzenethiol pyrolysis in coal, Journal of Molecular Structure (THEOCHEM), 2010, 952(1-3): 31-35
23. Ling Lixia; Zhang Riguang; Wang Baojun*; Xie Kechang; Pyrolysis mechanisms of quinoline and isoquinoline with density functional theory, Chinese Journal of Chemical Engineering, 2009, 17(5): 805-813
2. 学术著作
(1) 凌丽霞. 草酸二甲酯合成催化剂的分子设计. 北京: 应急管理出版社, 2019年9月
(2) 凌丽霞. 煤热解及煤气脱硫机理. 北京：煤炭工业出版社，2014年6月
(3) Baojun Wang, Riguang Zhang, Lixia Ling. Rate Constant Calculation for Thermal Reactions: Methods and Applications. Chapter 8. Quantum Chemistry Study on the Pyrolysis Mechanisms of Coal-Related Model Compounds, John Wiley & Sons Press, 2012.2
3. 授权专利
1) 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ZL0.2
2) 一种紫外光固化胶粘剂及其制备方法ZL1.8
4. 主持科研项目
(1) 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,国家自然科学基金面上项目（项目编号**）
(2) CO氧化偶联制草酸二甲酯Pd基双金属催化剂的构效关系,中国科学院山西煤炭化学研究所煤转化国家重点实验室开放基金（项目编号J18-19-602）
(3) Pd基催化剂同时脱除燃煤烟气中NO和Hg的微观机理，山西省回国留学人员科研资助项目（项目编号2016-030）
(4) 活性炭改性脱除煤气中单质Hg的理论研究，2014年度山西省高等学校优秀青年学术带头人支持计划项目
(5) 铈基氧化物脱硫脱汞的微观动力学研究，2014年度山西省高等学校131领军人才工程第二批项目
(6) 煤气中H2S和Hg铁基催化同时脱除的微观动力学研究，第52批中国博士后基金面上项目（项目编号2012M520608）
(7) 热解和气化煤气中H2S和Hg同时脱除的理论研究，国家自然科学青年基金（项目编号**）
5. 科技奖励
(1) 一碳反应双金属催化剂的结构调变和性能调控，山西省高等学校自然科学奖一等奖（排名第三）