情况介绍
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信息化学团队介绍

一、师资队伍

信息化学团队目前由6名老师组成,包括3名教授、博士生导师(杨小会周遥白羽)、1名副教授、博士生导师(杨帆致)和2名特别副研究员(张春焕卢宇)。团队负责人为杨小会教授。杨小会教授入选国家级青年人才以及北京理工大学特立青年学者,担任北京理工大学医药分子科学与制剂工程工业与信息化部重点实验室PI、前沿交叉科学研究院教授委员会委员(兼秘书)和中国化学会《有机化学》期刊青年编委。周遥教授入选北京理工大学特立青年学者,担任《Chinese Chemical Letters》、《Tungsten》和《Rare Metals》和《稀有金属》期刊青年编委。白羽教授担任前沿交叉科学研究院教授委员会委员。

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二、团队简介

信息化学团队面向世界科技前沿、面向国家重大战略需求、面向人民生命健康,将化学研究与计算机科学和技术、人工智能、信息学、数学理论和方法相结合,攻克基础化学、新型疫苗、药物研发、智能材料、国防材料和能源技术等面临的关键难点和挑战,理性设计和发展满足新时代要求的绿色低碳功能分子。

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相关研究方向如下:

1. 绿色、高效新型有机化学反应的发展及其应用;医药中间体、手性药物和含能材料等功能有机分子高效、简洁、精准合成;计算化学、人工智能和机器学习在有机反应设计、预测中的应用。(杨小会教授&卢宇副研究员)

2. 绿色低碳催化剂及电极材料创制(氢燃料电池、电解水/海水、锌-空电池、CO2还原、Fenton反应)。(周遥教授)

3. 锂二次电池(锂离子、锂硫)的关键材料、化学机制与器件应用;纳米电催化材料、纳米界面特性及电化学过程研究。(白羽教授)

4. 自修复高分子材料和笼形超分子材料研究。(杨帆致副教授)

5. 有机微纳激光材料设计合成;有机激光材料激发态过程研究;柔性激光器集成与应用。(张春焕副研究员)

三、招生与招聘

欢迎热爱相关研究方向的学生和青年教师加入信息化学研究团队。我们长期招收本科生、研究生、博士后以及青年教师。欢迎联系杨小会老师:xhyang@bit.edu.cn.联系电话:17610676709.期待你的加入!

四、人才培养

指导学生积极参与国家级、省部级以及校级前沿科研项目,团队学生多次参加国内外学术交流和学术会议,其中2021级博士生李琪(导师杨小会教授)在中国化学会第33届学术年会作快闪报告。团队教师开设多门化学、材料等相关专业本科生、研究生必修或选修课程。杨小会教授参与编写工信部“十四五”规划教材《有机化学》。多名学生获得一系列奖项和荣誉,代表性奖励如下。

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五、科研平台

团队现有岛津LC-20ADXR高效液相色谱仪、岛津GCMS-2020NX气相色谱-质谱联用仪、岛津GC-2018气相色谱仪、Mikrouna 手套箱、Autopol III旋光仪等一系列仪器设备,拥有搭Gaussian, ORCA, MacroModel, MOLPRO软件等计算和分子模拟平台,完全可满足科研中相关实验和计算化学方面的需求。

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六、代表性科研成果

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团队先后承担国家级青年人才项目、国家重点研发计划青年科学家项目、国家自然科学基金面上项目、国家自然科学基金青年项目、北京市自然科学基金面上项目以及北京理工大学特立青年学者项目等20余项。迄今在Nature、Nat. Mater.、J. Am. Chem. Soc.、Angew. Chem. Int. Ed.和Adv. Mater.等国际顶级学术期刊发表SCI学术论文近百篇。获得授权中国专利10余项,其中有1项已转让给制药公司用于手性药物生产。

1. Jiu, A. Y.; Slocumb, H. S.; Yeung, C. S.; Yang, X.-H. *; Dong, V. M.* Enantioselective Addition of Pyrazoles to Dienes,  Angew. Chem. Int. Ed . 2021,  60 ,

2. Bin, H.-Y.; Cheng, L.; Wu, X.; Zhu, C.-L.; Yang, X.-H.*; Xie, J.-H.*; Zhou, Q.-L. Asymmetric Hydrogenation of Exocyclic  γ,δ -Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution, Chem. Sci. 2021,  12 , 7793.

3. Yang, X.-H.; Davison, R. T.; Nie, S.-Z.; Cruz, F. A.; McGinnis, T. M.; Dong, V. M.* Catalytic Hydrothiolation: Counter-ion Controlled Regioselectivity,  J. Am. Chem. Soc.  2019,  141 , 3006.

4. Yang, X.-H.; Davison, R. T.; Dong, V. M.* Catalytic Hydrothiolation: Regioand Enantioselective Coupling of Thiols and Dienes,  J. Am. Chem. Soc. 2018,  140 , 10443.

5. Yang, X.-H.; Lu, A.; Dong, V. M.* Intermolecular Hydroamination of 1,3-Dienes To Generate Homoallylic Amines, J. Am. Chem. Soc. 2017,  139 ,14049.

6. Yang, X.-H.; Dong, V. M.* Rhodium-Catalyzed Hydrofunctionalization: Enantioselective Coupling of Indolines and 1,3-Dienes,  J. Am. Chem. Soc . 2017,  139 , 1774.

7. Zhou, J.#,*; Zhu, C.#; Zhou, Y.#; Dong J.; et al. Composition and phase engineering of metal chalcogenides and phosphorous chalcogenides,  Na  t.  Mater  . 2022, DOI: 10.1038/s41563-022-01291-5.

8. Zhou, Y.; Hao, W.; Zhao, X.; et al. Electronegativity-induced charge balancing to boost stability and activity of amorphous electrocatalysts,  Adv. Mater. 2022, 34, 2100537.

9. Ran, N.; Song, E.; Wang, Y.; Zhou, Y.*; Liu, J.* Dynamic coordination transformation of active sites in single-atom MoS2 catalysts for boosted oxygen evolution catalysis,  Energy Environ. Sci. 2022, 15, 2071.

10. Tan, H.; Zhou Y.*; Qiao S.; Fan H.* Metal organic framework (MOF) in aqueous energy devices”,  Mater  .  Today 2021,48, 270.

11. Zhou, Y.; Song, E.; Chen, W.; Segre, C.; Zhou, J.; et al. Dual-metal interbonding as the chemical facilitator for single-atom dispersions,  Adv. Mater. 2020, 32, 2003484,

12. Zhou, Y.; Zhang, J; Song, E.; Lin, J. et al. Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures,  Nat. Commun. 2020, 11, 2253,

13. Zhou, Y.; Song, E.;, Zhou, J.; Lin, J.; Ma, R.; et al. Auto-optimizing hydrogen evolution catalytic activity of ReS2 through intrinsic charge engineering,  ACS Nano 2018, 12, 4486-4493,

14. Sun, R.; Bai, Y.*; Bai, Z.; Peng, L. et al. Phosphorus vacancies as effective polysulfide promoter for high-energy-density lithium-sulfur batteries.  Adv. Energy Mater. 2022, 12, 2102739.

15. Gao, Y.; Bai, Y.*; Sun, R.; Qu, M. et al. Advanced separator enabled by sulfur defect engineering for high-performance lithium-sulfur batteries.  Ind. Eng. Chem. Res. 2022, 61, 6957.

16. Luo, M.; Bai, Y.*; Sun, R.; Wang, Z. et al. Enhanced performance of lithium-sulfur batteries with Co-doped g-C3N4 nanosheet-based separator.  Ind. Eng. Chem. Res. 2021, 60, 1231.

17. Sun, R.; Bai, Y.*; Luo, M.; Qu, M. et al. Enhancing polysulfide confinement and electrochemical kinetics by amorphous cobalt phosphide for highly efficient lithium-sulfur batteries.  ACS nano 2020, 15, 739.

18. Yang, W.; Bai, Y.*; Ma, J.; Wang, Z. et al. Engineering of carbon nanotube-grafted carbon nanosheets encapsulating cobalt nanoparticles for efficient electrocatalytic oxygen evolution. J. Mater. Chem. A  2020, 8, 25268.

19. Yu, Z.; Bai, Y.*; Zhang, S.; Liu, Y. et al. Metal-organic framework-derived Zn0.975Co0.025S/CoS2 embedded in N, S-codoped carbon nanotube/nanopolyhedra as an efficient electrocatalyst for overall water splitting. J. Mater. Chem. A  2018, 6, 10441.

20. Yu, Z.; Bai, Y.*; Zhang, S.; Liu, Y. et al. Metal-organic framework-derived Co3ZnC/Co embedded in nitrogen-doped carbon nanotube-grafted carbon polyhedra as a high-performance electrocatalyst for water splitting. ACS Appl. Mater. Interfaces 2018, 10, 6245.

21. C. Zhang, C.-L. Zou, H. Dong, Y. Yan, J. Yao and Y. S. Zhao*, Dual-color single-mode lasing in axially coupled organic nanowire resonators  Sci. Adv. 2017,  3 , e1700225.

22. C. Zhang, H. Dong, C. Zhang, Y. Fan, J. Yao and Y. S. Zhao*, Photonic skins based on flexible organic microlaser arrays,  Sci. Adv. 2021,  7 , eabh3530.

23. C. Qiao, C. Zhang*, Z. Zhou, H. Dong, Y. Du, J. Yao and Y. S. Zhao*, A Photoisomerization-Activated Intramolecular Charge-Transfer Process for Broadband-Tunable Single-Mode Microlasers  Angew. Chem. Int. Ed. 2020,  59 , 15992-15996. ( Hot Paper )

24. Y. Fan, C. Zhang*, Z. Gao, Y. Hou, Z. Zhou, J. Yao, Y. S. Zhao*, Randomly induced phase transformation in silk protein-based microlaser arrays for anti-counterfeiting  Adv. Mater.  2021, 33 , 2102586.

25. Y. Fan, C. Zhang*, Y. Du, C. Qiao, K. Wang, Y. Hou, J. Yao, Y. S. Zhao*, A universal in-situ cross-linking strategy enables orthogonal processing of full-color organic microlaser arrays  Adv. Funct. Mater. 2021,  31 , 2103031.

(撰稿人:杨小会;数据截止到2023年12月)