聂小娃

基本信息Personal Information

副教授

硕士生导师

主要任职:无

性别:女

毕业院校:大连理工大学

学位:博士

在职信息:在职

所在单位:化工学院

学科:工业催化

办公地点:西部校区化工实验楼B415

联系方式:0411-84986486

电子邮箱:

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个人简介Personal Profile

2015年3月被聘为大连理工大学化工学院副教授;2011.8-2015.2月先后在美国俄亥俄州立大学化工系及佐治亚理工学院化工系从事博士后研究。2018.12-2019.12月在美国哥伦比亚大学化工系做访问学者。

* 利用原子建模技术,主要是基于第一原理电子结构方法,从分子水平研究多相催化的微观反应机理、探索催化材料的组成/结构/性质与催化活性/选择性之间的关系,实现材料的优化设计。


* 主要研究方向

  1. CO2加氢催化转化机理、CO2电化学催化还原机理研究;

  2. MOF材料的结构、性能及应用理论研究;

  3. 分子筛催化、择形催化理论计算研究;

  4. 生物质加氢脱氧机理研究;


* 在研项目

  • 国家自然科学基金面上项目(21872012),负责人(2019.01-2022.12 在研)

  • 国家自然科学基金面上项目(21972013),主要参与(2020.01-2023.12 在研)

  • 国家自然科学基金青年基金项目(21503027),负责人(2016.01-2018.12 结题)

  • 国家重点研发计划项目(2016YFB0600902),主要参与(2016.07-2021.06 在研)

  • 理工大学基本科研业务费-理科基础科研专题(化学),负责人(2018.01-2019.12 结题)


* 硕士生导师、联合博导

* 在国际知名期刊上发表研究论文60余篇、国际会议上做报告20余次
* 个人主页:http://faculty.dlut.edu.cn/2015011024/zh_CN/index.htm


* 指导学生获奖情况

2018-2019年度

王浩志(2016级博士):校优秀研究生、校优秀党员、化工学院第一届博士生学术论坛(一等奖)、入选中国科协优秀中外青年交流计划 (赴美国佐治亚理工学院化工系进行交流学习)

任宪轩(2017级硕士):优秀研究生、校优秀硕士毕业论文 (荷兰埃因霍分理工大学化工系攻读博士学位)

2017-2018年度

王浩志(2016级博士):国家奖学金、校优秀研究生、博士生学业奖学金(一等)

孟琳琳(2016级硕士):校优秀研究生、学部优秀学生干部

万文佳(2016级硕士):校优秀研究生 (英国帝国理工学院攻读博士)

2016-2017年度

王浩志(2016级博士):国家奖学金

季晓静(2015级硕士):国家奖学金、校优秀研究生、辽宁省优秀毕业生

孟琳琳(2016级硕士):校优秀研究生、学部优秀学生干部

本科生优秀毕业论文

谢天泽(2017):优秀毕业论文 (美国宾州州立大学化工系攻读博士)

余臻子(2018):优秀毕业论文 (美国佐治亚理工学院化工系攻读博士)

于笑妍(2020):优秀毕业论文 (大连理工大学本课题组继续读研)


* 近五年代表论文

1.     Kun Zhao1, Xiaowa Nie1, Haozhi Wang, Shuo Chen, Xie Quan*, Hongtao Yu, Wonyong Choi, Guanghui Zhang, Bupmo Kim, and Jingguang G. Chen*. Selective Electrochemical Reduction of CO2 to Acetone by Single Cu Atoms Anchored on N-Doped Porous Carbon. Nature Commun.2020, 11: 2455,https://doi.org/10.1038/s41467-020-16381-8. (Featured in Editor’s Highlights). (1: equal contribution)

2.      Xiao Jiang1Xiaowa Nie1,*, Xinwen Guo*, Chunshan Song* and Jingguang G. Chen*. Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis. Chemical Reviews 2020, https://doi.org/10.1021/acs.chemrev.9b00723. (1: equal contribution)

3.      Xiao Jiang1Xiaowa Nie1,*, Yutao Gong, Colton M. Moran, Jianyang Wang, Jie Zhu, Huibin Chang, Xinwen Guo*, Krista S. Walton*, Chunshan Song*. A Combined Experimental and DFT Study of H2O Effect on In2O3/ZrO2 Catalyst for CO2 Hydrogenation to Methanol. J. Catal. 2020383, 283–296. (1: equal contribution)

4.      Elaine Gomez1Xiaowa Nie1,*, Ji Hoon Lee, Zhenhua Xie, Jingguang G. Chen*. Tandem Reactions of CO2 Reduction and Ethane Aromatization.  J. Am. Chem. Soc. 2019, 141, 44, 17771–17782. (1: equal contribution)

5.     Xiaowa Nie, Wenhui Li,      Xiao Jiang*, Xinwen Guo*, Chunshan Song*. Recent Advances in      Catalytic CO2 Hydrogenation to Alcohols and      Hydrocarbons. Advances in Catalysis (Review) 2019, 65, 121233.

6.      Xiaowa Nie*, Xianxuan Ren, Xiaojing Ji, Yonggang Chen, Michael J. Janik, Xinwen Guo*, and Chunshan Song. Mechanistic Insight into Propylene Epoxidation with H2O2 over TS-1: Effects of Zeolite Confinement and Solvent. J. Phys. Chem. B 2019, 123, 7410–7423 (Supplementary cover).

7.      Ting Zhang1, Xiaowa Nie1, Weiwei Yu, Xinwen Guo, Chunshan Song, Rui Si*, Yuefeng Liu*, and Zhongkui Zhao*. Single Atomic Cu-N2 Catalytic Sites for Highly Active and Selective Hydroxylation of Benzene to Phenol. iScience 2019, 22, 97–108. (1: equal contribution)

8.      Xiao Jiang1Xiaowa Nie1, Xiaoxing Wang, Haozhi Wang, Naoto Koizumi, Yonggang Chen, Xinwen Guo and Chunshan Song*. Origin of Pd-Cu Bimetallic Effect for Synergetic Promotion of Methanol Formation from CO2 Hydrogenation. J. Catal. 2019369, 21–32. (1: equal contribution)

9.      Xiaowa Nie, Xiao Jiang, Haozhi Wang, Michael J. Janik, Yonggang Chen, Xinwen Guo*, and Chunshan Song*. Mechanistic Understanding of Alloy Effect and Water Promotion for Pd-Cu Bimetallic Catalysts in CO2 Hydrogenation to Methanol. ACS Catal. 20188, 4873–4892.

10.      Xiaowa Nie*, Linlin Meng, Haozhi Wang, Yonggang Chen, Xinwen Guo, and Chunshan Song. DFT Insight into the Effect of Potassium on the Adsorption, Activation and Dissociation of CO2 over Fe-based Catalysts. Phys. Chem. Chem. Phys. 201820, 14694–14707.

11.   Wenjia Wan1Xiaowa Nie1,*, Michael J. Janik, Chunshan Song, and Xinwen Guo. Adsorption, Dissociation, and Spillover of Hydrogen over Au/TiO2 Catalysts: The Effects of Cluster Size and Metal−Support Interaction from DFT. J. Phys. Chem. C 2018122 (31), 17895–17916. (1: equal contribution)

12.   Haozhi Wang, Xiaowa Nie*, Yonggang Chen, Xinwen Guo, and Chunshan Song*. Facet Effect on CO2 Adsorption and Hydrogenation over Fe Catalysts: Insight from DFT. J. CO2 Util. 201826, 160–170.

13.   Xiaowa Nie, Haozhi Wang, Wenhui Li, Yonggang Chen, Xinwen Guo*, and Chunshan Song*. DFT Insight into the Support Effect on the Adsorption and Activation of Key Species over Co Catalysts for CO2 Methanation. J. CO2 Util. 201824, 99–111.

14.   Wenhui Li, Xiaowa Nie, Xiao Jiang, Anfeng Zhang, Fanshu Ding, Min Liu, Zhongmin Liu, Xinwen Guo* and Chunshan Song*. ZrO2 Support Imparts Superior Stability and Activity of Co Catalysts for CO2 Methanation. Appl. Catal. B-Environ. 2018220, 397–408.

15.   Xiaowa Nie*, Xiaojing Ji, Yonggang Chen, Chunshan Song, and Xinwen Guo. Mechanistic Investigation of Propylene Epoxidation over TS-1: Active Site Formation, Intermediate Identification, and Oxygen Transfer Pathway. Mol. Catal. 2017441, 150–167.

16.   Xiaowa Nie, Haozhi Wang, Michael J. Janik, Yonggang Chen, Xinwen Guo*, and Chunshan Song*. Mechanistic Insight into C-C Coupling over Fe-Cu Bimetallic Catalysts in COHydrogenation. J.  Phys. Chem. C 2017121, 13164–13174.

17.   Wenjia Luo1, Xiaowa Nie1, Michael J. Janik*, and Aravind Asthagiri*. Facet Dependence of CO2 Reduction Paths on Cu Electrodes. ACS Catal. 20166, 219–229. (1: equal contribution)

18.   Xiaowa Nie, Haozhi Wang, Michael J. Janik, Xinwen Guo*, and Chunshan Song*. Computational Investigation of Fe-Cu Bimetallic Catalysts for CO2 Hydrogenation. J. Phys. Chem. C 2016, 120, 9364–9373.

19.   Haozhi Wang, Xiaowa Nie*, Xinwen Guo, and Chunshan Song*. A Computational Study of Adsorption and Activation of CO2 and H2 over Fe(100) Surface. J. CO2 Util. 201615, 107–114.

20.   Xiaowa Nie, Ambarish Kulkarni, and David S. Sholl*. Computational Prediction of Metal Organic Frameworks Suitable for Molecular Infiltration as a Route to Development of Conductive Materials. J. Phys. Chem. Lett. 20156, 1586–1591.

21.   Xiaowa Nie, Wenjia Luo, Michael J. Janik*, and Aravind Asthagiri*. Reaction Mechanisms of CO2 Electrochemical Reduction on Cu(111) Determined with Density Functional Theory. J. Catal. 2014312, 108–122.

22.   Xiaowa Nie, Gregory L. Griffin, Michael J. Janik, and Aravind Asthagiri*. Surface Phases of Cu2O(111) Under CO2 Electrochemical Reduction Condition. Catal. Commun. 201452, 88–91.

23.   Xiaowa Nie, Monica R. Esopi, Michael J. Janik*, and Aravind Asthagiri*. The Role of Elementary Kinetics on the Selectivity of CO2 Reduction on Cu Electrodes. Angew. Chem. Int. Ed. 201352, 2459–2462 (Inside cover).

 




    

  • 教育经历Education Background
  • 工作经历Work Experience
  • 研究方向Research Focus
  • 社会兼职Social Affiliations
  • (1)金属、金属氧化物催化CO2加氢转化理论计算研究
  • (2)MOF材料的结构、性能及应用理论计算研究
  • (3)分子筛择形催化理论研究
  • (4)催化反应动力学理论研究
  • (5)生物质加氢脱氧机理研究