颜力楷
东北师范大学化学学院
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职　　称：教授
研究方向：功能材料化学和应用量子化学
办公电话：NULL
办公地点：
电子邮件：yanlk924@nenu.edu.cn



个人简历
颜力楷，博士，教授，博士生导师，教育部新世纪优秀人才。曾先后在英国剑桥大学、西班牙罗维拉维尔吉利大学、日本九州大学和美国乔治华盛顿大学从事博士后研究和合作研究。讲授本科生课程：晶体化学、量子化学半经验计算方法、材料晶体结构及其光电磁性质；研究生课程：量子力学；留学生课程：Quantum Chemistry。从事应用量子化学和功能材料化学两个方向的研究。自2000年来，主要开展多金属氧酸盐及其衍生物的理论研究工作，深入探讨多金属氧酸盐及其衍生物的相对稳定性，成键特征，氧化还原性质及其非线性光学性质，以期寻找结构新颖，性能优异的多酸型材料。同时对?共轭有机化合物及有机金属配合物的光学性质进行深入研究，探索结构-性质规律，为实验合成提供理论指导。2000年9月—2003年6月 东北师范大学化学系物理化学专业量子化学方向 理学硕士学位 2003年9月—2006年6月 东北师范大学化学系无机化学专业理论无机化学方向 理学博士学位 2006年12月—2011.12 吉林大学理论化学研究所博士后2005年4月—2006年4月 英国剑桥大学化学系访问学者2006年10月—2006年12月西班牙罗维拉维尔吉利大学无机与物理化学系访问教授2007年11月—2009年11月 日本九州大学材料科学系JSPS研究员2013年11月—2014年7月 美国乔治华盛顿大学客座教授2012年12月—现在 东北师范大学化学系物理化学专业，教授,博士生导师

社会兼职




获奖情况


2017-11-10 吉林省科学技术奖自然科学奖二等奖 2007-12-26 吉林省科学技术进步一等奖


教学信息


本科生：结构化学；结晶化学原理；化学史研究生：量子力学；科技论文写作与学术规范


科研信息


2014年以来发表论文情况：1. Xiaofang Su, Wei Guan, Likai Yan*, Zhongmin Su, Tricopper-polyoxometalate catalysts for water oxidation: Redox-inertness of copper center, J. Catal., 381, 402-407, 2020.2. Yu Gao, Wei Guan, Likai Yan*, Zhongmin Su, A theoretical investigation on promising acceptor groups for POM-based dyes: from electronic structure to photovoltaic conversion efficiency, J. Mater. Chem. C, 8, 219-227, 2020.3. Xiaofang Su, Likai Yan*, Zhongmin Su *, Theoretical insight into the performance of Mn II/III –monosubstituted heteropolytungstates as water oxidation catalysts, Inorg. Chem., 58, 15751-15757, 2019.4. Yu Tian, Changyan Zhu, Likai Yan*, Jingxiang Zhao, Zhongmin Su, Two-dimensional p-conjugated metal bis(dithiolene) nanosheets as promising electrocatalysts for carbon dioxide reduction: A computational study, J. Mater. Chem. A., 7, 15341-15346, 2019.5. Tingting Zhao, Yu Tian, Yuelin Wang, Likai Yan*, Zhongmin Su, Mechanistic insight into electroreduction of carbon dioxide on FeNx (x = 0-4) embedded grapheme, Phys. Chem. Chem. Phys., 21, 23638-23644, 2019.6. Xiaofang Su, Wei Guan, Likai Yan*, Zhongling Lang*, Zhongmin Su, Evidence of two-state reactivity in water oxidation catalyzed by polyoxometalate-based complex [Mn3(H2O)3(SbW9O33)2]12-, J. Catal., 376, 146-149, 2019.7. Yu Tian, Yuelin Wang, Likai Yan*, Jingxiang Zhao, Zhongmin Su, Electrochemical reduction of carbon dioxide on the two-dimensional, M3(Hexaiminotriphenylene)2 sheet: A computational study, Applied Surface Science., 467, 98-103, 2019.8. Yu Gao, Wei Guan, Likai Yan* and Yanhong Xu, Theoretical screening of promising donor and p-linker groups for POM-based Zn-porphyrin dyes in dye-sensitized solar cells, Phys.Chem.Chem.Phys., 21, 3822-3831, 2019.9. Tingting Zhao, Yu Tian, Yuelin Wang, Likai Yan*dded grapheme, Phys. Chem. Chem. Phys., 21, 23638-23644, 2019.10. Yu Gao, Likai Yan*, Wei Guan* and Zhong-Min Su, How do transition-metal-substituted POMs modify the photoanode of dye-sensitized solar cells? A DFT study, Inorg. Chem. Front., 6, 969-974, 2019.11. Xiaofang Su, Bo Zhu, Li Liu, Likai Yan*, Zhongmin Su, DFT Characterization on the Effect of Redox-Inactive Cation Ca2+ on Water Oxidation by CoII-Based Cuboidal Catalyst, Comp. Theoretical Chem., 1152, 1-6, 2019. 12. Yuelin Wang, Yu Tian, Zhongling Lang, Wei Guan, Likai Yan*, A highly efficient Z-scheme B-boped g-C3N4/SnS2 photocatalyst for CO2 reduction reaction: A computational study, J. Mater. Chem. A., 6, 21056-21063, 2018. 13. Qi Wang, Caixia Wu, Likai Yan*, Zhongmin Su, first-principles calculation of geometric, electronic structures and optical properties of Lindqvist-type polyoxometalates functionalized carbon nitride, Comp. Mater. Sci., 148, 260-265, 2018. 14. Yuelin Wang, Caixia Wu, Yu Tian, Likai Yan*, Huaqiao Tan*, Zhongmin Su, The electronic and optical properties of carbon nitride derivatives: A first principles study, Appl. Surf. Sci., 453, 442-448, 2018.15. Kun Liu, Caixia Wu, Likai Yan*, Huaqiao Tan*, Zhongmin Su, Theoretical studies on the chiral polyoxoanions [P2Mo18O62]6- and [PMo9O31(OH2)3]3- with histidine: Chiral inversion and chiral induction, Inorg. Chem. Front., 5, 1992-1997, 2018.16. Yuelin Wang, Yu Tian, Likai Yan*, Zhongmin Su, DFT study on sulfur-doped g C3N4 nanosheets as a photocatalyst for CO2 reduction reaction, J. Phys. Chem. C, 122, 7712-7719, 2018.17. Yu Tian, Zengsong Zhang, Caixia Wu, Likai Yan*, Wei Chen*, Zhongmin Su, Theoretical insights into the catalytic mechanism for the oxygen reduction reaction on M3(hexaiminotriphenylene)2 (M = Ni, Cu), Phys. Chem. Chem. Phys., 20, 1821-1828. 2018.18. Yu Gao, Wei Guan, and Likai Yan*, The effect of dyes with different π linkers on the overall performance of p DSSCs: Lessons from theory, J. Phys. Chem. A., 122, 7491-7496, 2018.19. Caixia Wu, Shizheng Wen, Likai Yan*, Min Zhang, Tengying Ma, Yuhe Kan, Zhongmin Su, Conductive metal adatoms adsorbed on grapheme nanoribbons: A first-principles study of electronic structures, magnetization and transport properties, J. Mater. Chem. C, 5, 4053-4062, 2017.20. Bo Zhu, Guifang Du, Hang Ren, Likai Yan*, Wei Guan*, Zhongmin Su, Synergistic mechanistic study of nickel(0)/Lewis acid catalyzed cyanoesterification: Effect of Lewis acid, Organometallics, 36, 4713-4720, 2017. 21. Linlin Sun, Ting Zhang, Bo Zhu, Caixia Wu, Likai Yan*, Zhongmin Su*, Theoretical design and study on hexamolybdate-based organic-inorganic hybrids with double D-π-A chains for high performance p-type dye-sensitized solar cells (DSSCs), Dyes Pigm., 137, 372-377, 2017.22. Rongji Liu, Guangjin Zhang*, Hongbin Cao, Suojiang Zhang, Yongbing Xie, Ali Haider, Ulrich Kortz*, Banghao Chen, Naresh S. Dalal*, Yongsheng Zhao, Linjie Zhi, Cai-Xia Wu, Li-Kai Yan*, Zhongmin Su, Bineta Keita, Enhanced proton and electron reservoir abilities of polyoxometalate grafted on graphene for high-performance hydrogen evolution, Energy Environ. Sci., 9, 1012-1023, 2016. 23. Hanni Wu, Ting Zhang, Caixia Wu, Wei Guan, Likai Yan*, Zhongmin Su*, A theoretical design and investigation on Zn-porphyrinpolyoxometalate hybrids with different p-linkers for searching high performance sensitizers of p-type dye-sensitized solar cells, Dyes Pigm., 130, 168-175, 2016. 24. Chunyan Li, Ting Zhang, Jiashu Chi, Likai Yan*, Zhongmin Su*, TDDFT studies on the chiroptical properties of a chiral inorganic polythioanion M?bius strip, Inorg. Chem. Front., 3, 86-91, 2016.25. Hanni Wu, Jing Wang, Hong Li, Nana Ma, Ting Zhang, Shaoqing Shi, Likai Yan*, Zhongmin Su*, Structure and frontier molecular orbital (FMO) energies of α-Keggin-type polyoxometalate [PW12O40]3-: A systematical study with different functionals of density functional theory, Comput. Theor. Chem., 1089, 28-34, 2016.26. Tengying Ma, Ting Zhang, Bo Zhu, Likai Yan*, Zhongmin Su, Theoretical studies on oxidation-switchable second-order nonlinear optical responses of metallosalen-Keggin polyoxometalate derivatives, Rsc. Advances, 6, 53438-53443, 2016. 27. Ting Zhang, Wei Guan, Yonghuai Wei, Tengying Ma, Likai Yan*, Zhongmin Su*, Theoretical design of organic-inorganic hybrids based on hexamolybdate toward high performance dye-sensitized solar cells, Mol. Simulat., 42, 688-692, 2016. 28. Tengying Ma, Shizheng Wen, Likai Yan*, Caixia Wu, Chunmei Zhang*, Min Zhang*, Zhongmin Su*, The transport properties of silicon and carbon nanotubes at the atomic scale: A First-principles study, Phys. Chem. Chem. Phys., 18, 23643-23650, 2016.29. Likai Yan, Hanning Chen, Computational modeling of self-trapped electrons in rutile TiO2, Phys. Chem. Chem. Phys., 17, 29949-29957, 2015.30. Kun Zhou, Chao Qin, Liai Yan*, Wene Li, Xinlong Wang, Haining Wang, Kuizhan Shao, Zhongmin Su*, Rational synthesis, structural characterization and theoretical exploration on third-order nonlinear optical properties of isolated Agn (n = 5, 8, 12) alkynyl clusters, Dyes Pigm., 113, 299-306, 2015.31. Ting Zhang, Wei Guan, Likai Yan*, Tengying Ma, Jing Wang and Zhongmin Su, Theoretical studies on POM-based organic-inorganic hybrids containing double D-A1-π-A2 chains for high-performance p-type, dye-sensitized solar cells (DSSCs), Phys. Chem. Chem. Phys., 17, 5459-5465, 2015.32. Caixia Wu, Tengying Ma, Likai Yan*, Ting Zhang, Zhongmin Su,iIV, PV, GeIV, AsV, and SeIV) using quantum chemical calculations, Phys. Chem. Chem. Phys., 17, 11521-11526, 2015.33. Tengying Ma, Shizheng Wen, Caixia Wu, Likai Yan*, Min Zhang, Yuhe Kan, Zhongmin Su*, Theoretical investigation of armchair silicene nanoribbons with application in stretchable electronics, J. Mater. Chem. C., 3, 10085-10090, 2015.34. Bo Zhu, Likai Yan*, Wei Guan, Zhongmin Su*, DFT characterization on the mechanism of sulfoxidation with H2O2 catalyzed by tetranuclear peroxotungstates [XO4{WO(O2)2}4]n- (X = SiIV, PV, SVI, AsV, and SeVI), Dalton Trans., 44, 9063-9070, 2015. 35. Hanni Wu, Ting Zhang, Likai Yan*, Zhongmin Su, Exploration of charge transfer and absorption spectra of porphyrin-polyoxometalate hybrids to search for high performance sensitizers, Rsc. Advances, 5, 93659-93665, 2015.36. Linlin Sun, Jing Wang, Likai Yan*, Zhongmin Su, Exploring the influence of electron donating/withdrawing groups on hexamolybdate-based derivatives for efficient p-type dye-sensitized solar cells (DSSCS), Rsc. Advances, 5, 39821-39827, 2015. 37. Caixia Wu, Likai Yan*, Ting Zhang, Zhongmin Su, Redox and acidic properties of chalcogenidosubstituted mixed-metal polyoxoanions: A DFT study of α-[PW11O39ME]4- (M= Nb, Ta; E = O, S, Se), Inorg. Chem. Front., 2, 246-253, 2015. 38. Ting Zhang, Wei Guan, Tengying Ma, Yan Lin, Likai Yan*, Zhongmin Su*, Theoretical studies on tricarbonyl metal derivatives of Lindqvist-type polyoxometalate complexes: Electronic structures and nonlinear optical properties, Inorg. Chem. Front., 2, 544-549, 2015.39. Likai Yan, Hanning Chen, Migration of holstein polarons in anatase TiO2, J. Chem. Theory Comput., 11, 4995-5001, 2014.40. Bo Zhu, Zhongling Lang, Nana Ma, Likai Yan*, Zhongmin Su, Bonding Interactions Between Sulfur Dioxide (SO2) and Monoruthenium(II)-Substituted Keggin-Type Polyoxometalates: Electronic Structures of Ruthenium-SO2 Adducts, Phys. Chem. Chem. Phys., 16, 18017-18022, 2014. 41. Ting Zhang, Nana Ma, Likai Yan*, Tengying Ma, Zhongmin Su, Theoretical Exploration on Switchable NLO Response Induced by Photochromic Properties of Covalently Connected Unsymmetrical Spiropyran-Polyoxometalate Complex, Dyes Pigm., 106, 105-110, 2014. 42. Bo Zhu, Zhongling Lang, Likai Yan*, Muhammad RamzanSaeedAshraf Janjua, Zhongmin Su, A Comparative DFT Study on the Mechanism of Olefin Epoxidation Catalyzed by Substituted Binuclear Peroxotungstates ([SeO4WO(O2)2MO(O2)2]n- (M = TiIV, VV, TaV, MoVI, WVI, TcVII, and ReVII)), Int. J. Quantum Chem., 114, 458-462, 2014. 43. Yonghuai Wei, Ting Zhang, Zhongling Lang, Likai Yan*, Zhongmin Su, Theoretical Design of Organoimido-Substituted Hexamolybdates with Different Electron Donors for Dye-Sensitized Solar Cells, Dyes Pigm., 102, 6-12, 2014. 44. Ting Zhang, Wei Guan, Shizheng Wen, Tengying Ma, Likai Yan*, Zhongmin Su, Theoretical Studies on Metalloporphyrin-Polyoxometalates Hybrid Complexes for Dye-Sensitized Solar Cells, J. Phys. Chem. C, 118, 29623-29628, 2014. 45. Ting Zhang, Likai Yan* Sha Cong, Wei Guan, Zhongmin Su, Prediction of Second-Order Nonlinear Optical Properties of Wells-Dawson Pd Mo), Inorg. Chem. Front., 1, 65-70, 2014.46. Weichao Chen, Likai Yan*, Caixia Wu, Xinlong Wang, Kuizhan Shao, Zhongmin Su, Enbo Wang, Assembly of Keggin-/Dawson-Type Polyoxotungstate Clusters with Different Metal Units and SeO32- Heteroanion Templates, Cryst. Growth Des., 14, 5099-5110, 2014.