研究方向
1. 煤氣潔淨利用過程中的多相催化反應機理以及高效脫除劑的改性設計
2. 碳一反應過程中貴金屬催化劑的結構調變與性能調控
承擔項目
1. 中科院煤化所開放基金，CO氧化偶聯制草酸二甲酯Pd基雙金屬催化劑的構效關係，經費：12萬
2. 山西省回國留學人員科研資助項目，Pd基催化劑同時脫除燃煤煙氣中NO和Hg的微觀機理，經費：4萬
3. 國家自然科學基金，CO氧化偶聯制草酸二甲酯Pd催化劑的結構調變與活性調控，經費：74.86萬
4. 2014山西省高等學校青年學術帶頭人，活性炭改性脫除煤氣中單質Hg的理論研究，經費：10萬
5. 山西省高等學校2014年度131領軍人才第三層次，經費：2萬
6. 第52批博士後基金，鐵基氧化物對煤氣中H2S和Hg同時脫除的微觀動力學研究，經費：5萬
7. 國家自然科學青年基金，熱解和氣化煤氣中H2S和Hg同時脫除的理論研究（21103120），經費：25萬
8. 太原理工大學引進人才啟動經費（2010.7-2013.7），經費：10萬
研究成果
SCI 收錄學術論文 30 余篇
Lixia Ling, Qiang Wang, Riguang Zhang, Debao Li*, Baojun Wang*.Formation of C oxygenates and ethanol from syngas on an Fe-decorated Cu-based catalyst: insight into the role of Fe as a promoter, Phys. Chem. Chem. Phys. 2017, 19: 30883-30894.
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.
Lixia Ling, Zhongbei Zhao, Senpeng Zhao, Qiang Wang, Baojun Wang*. Riguang Zhang, Debao Li. Effects of metals doping on the removal of Hg and HS over ceria, Applied Surface Science, 2017, 403: 500-508
Lixia Ling, Lili Fan, Xue Feng, Baojun Wang*, Riguang Zhang.Effects of the size and Cu modulation of Pd (n≤38) clusters on Hgadsorption, Chemical Engineering Journal, 2017, 308: 289-298
Lixia Ling, Zhongbei Zhao, Baojun Wang*, Maohong Fan, Riguang Zhang. Effects of CO and CO on the desulfurization of HS using a ZnO sorbent: a density functional theory study, Physical Chemistry and Chemical Physics, 2016, 18: 11150-11156
Lili Fan, Lixia Ling, Baojun Wang*, Riguang Zhang.The adsorption of mercury species and catalytic oxidation of Hg0 on the metal-loaded activated carbon, Applied Catalysis A: General, 2016, 520: 13-23
Zhiping Chen, Lixia Ling, Baojun Wang*, Huiling Fan*, JuShangguan, Jie Mi.Adsorptive desulfurization with metal-organic frameworks: A density functional theory investigation. Applied Surface Science, 2016, 387: 483-490.
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
Senpeng Zhao, Lixia Ling, Baojun Wang*, Riguang Zhang, Debao Li, Qiang Wang, Jiancheng Wang. Theoretic insight into the desulfurization mechanism: removal of HS by ceria (110), Journal of Physical Chemistry C, 2015, 119: 7678-7688
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
Lixia Ling, Jiajia Song, Senpeng Zhao, Riguang Zhang, Baojun Wang*. DFT study on the effects of defect and metaldoping on the decomposition of HS on the a-FeO(0001) surface, RSC Advances, 2014, 4(43): 22411-22418
Jianbing Wu, Guozhang Ma, Ping Li, Lixia Ling, Baojun Wang*. Preparation of Multifunctional Thiol- and Acrylate-TerminatedPolyurethane: A Comparative Study on Their Properties in UV Curable Coatings, Journal of Applied Polymer Science, 2014, 131(18): 9063–9069
Jianbing Wu, Lixia Ling, Guozhang Ma, Baojun Wang*. A comparative study of grafting methods on the preparation and properties of modified nanosilica for UV curable coatings, Journal of Coatings Technology and Research, 2014, 11(5): 717–725
Lina Zhang, Lixia Ling, Senpeng Zhao, Riguang Zhang, Baojun Wang*. Formation mechanism of methane during coal evolution: A density functional theory study, Journal of Energy Chemistry, 2014, 23: 669–678
Lixia Ling, Peide Han, Baojun Wang*, Riguang Zhang. Theoretical prediction of simultaneous removal efficiency of ZnO for HS and Hgincoal gas. Chemical Engineering Journal, 2013, 231: 388-396
Lixia Ling, Peide Han, Baojun Wang*, Riguang Zhang. DFT study on the regeneration mechanism of ZnO surface during the desulfurization of HS, Fuel Processing Technology, 2013, 109: 49-56
Lixia Ling, Riguang Zhang,Peide Han, Baojun Wang*. DFT study on the sulfurization mechanism during the desulfurization of HS on the ZnO desulfurizer,Fuel Processing Technology, 2013, 106: 222-230
Lixia Ling, Jianbing Wu, Jiajia Song, Peide Han, Baojun Wang*. The adsorption and dissociation of HS on the oxygen-deficient ZnO(101(—)0) surface: A density functional theory study, Computational and Theoretical Chemistry, 2012, 1000: 26-32
Lixia Ling, Riguang Zhang, PeideHan, Baojun Wang*. A theoretical study on the hydrolysis mechanism of carbon disulfide, Journal of Molecular Modeling, 2012, 18(4): 1625-1632
Lixia Ling, Riguang Zhang, Baojun Wang*, KechangXie. DFT study on the sulfur migration during benzenethiol pyrolysis in coal, Journal of Molecular Structure (THEOCHEM), 2010, 952(1-3): 31-35
Lixia Ling，Riguang Zhang，Baojun Wang*，KechangXie. Pyrolysis mechanisms of quinoline and isoquinoline with density functional theory, Chinese Journal of Chemical Engineering, 2009, 17(5): 805-813
Lixia Ling，Riguang Zhang，Baojun Wang*，KechangXie. Density functional theory study on the pyrolysis mechanism of thiophene in coal, Journal of Molecular Structure (THEOCHEM), 2009, 905: 8-12
1.Lixia Ling
2.Lixia Ling
3.Lixia Ling
4.Lixia Ling
5.Lixia Ling
6.Lili Fan, Lixia Ling, Baojun Wang*, Riguang Zhang.The adsorption of mercury species and catalytic oxidation of Hg0 on the metal-loaded activated carbon, Applied Catalysis A: General, 2016, 520: 13-23
7.Zhiping Chen, Lixia Ling, Baojun Wang*, Huiling Fan*, JuShangguan, Jie Mi.Adsorptive desulfurization with metal-organic frameworks: A density functional theory investigation. Applied Surface Science, 2016, 387: 483-490.
8.Lixia Ling,
9.Senpeng Zhao, Lixia Ling, Baojun Wang*, Riguang Zhang, Debao Li, Qiang Wang, Jiancheng Wang. Theoretic insight into the desulfurization mechanism: removal of HS by ceria (110), Journal of Physical Chemistry C, 2015, 119: 7678-7688
10.Lixia Ling,
11.Lixia Ling
12.Jianbing Wu, Guozhang Ma, Ping Li, Lixia Ling, Baojun Wang*. Preparation of Multifunctional Thiol- and Acrylate-TerminatedPolyurethane: A Comparative Study on Their Properties in UV Curable Coatings, Journal of Applied Polymer Science, 2014, 131(18): 9063–9069
13.Jianbing Wu, Lixia Ling, Guozhang Ma, Baojun Wang*. A comparative study of grafting methods on the preparation and properties of modified nanosilica for UV curable coatings, Journal of Coatings Technology and Research, 2014, 11(5): 717–725
14.Lina Zhang, Lixia Ling, Senpeng Zhao, Riguang Zhang, Baojun Wang*. Formation mechanism of methane during coal evolution: A density functional theory study, Journal of Energy Chemistry, 2014, 23: 669–678
15.Lixia Ling
16.Lixia Ling
17.Lixia Ling,
18.Lixia Ling
19.Lixia Ling
20.Lixia Ling
21.Lixia Ling
22.Lixia Ling
授權發明專利共3項
1. 凌麗霞，吳建兵.一種超支化聚合物改性納米二氧化矽雜化材料的製備方法。
專利號：ZL2013107168102.
授權公告日：2015年10月14日
2. 郝曉剛， 凌麗霞，王忠德，孫守斌，張忠林，馬旭莉，劉世斌。一種立方納米顆粒聚苯胺/鐵氰化鎳雜化材料的製備方法。
專利號：ZL. 201210180918.
3. 凌麗霞，章日光，吳建兵。一種紫外光固化膠粘劑及其製備方法。
專利號：ZL2011101755518.
授權公告日：2013年6月5日
參編著作
1. 凌麗霞. 煤熱解及煤氣脫硫機理. 北京：煤炭工業出版社，2014年6月
2. 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
