个人简介：

姓 名: 肖 航

出 生: 1989年4月

最高学历: 工学博士

职 称 / 职 务: 副教授 / 硕士生导师

通信地址: 西安市太白北路229号，710069；西北大学化工学院

电子邮件: xiaohang07@nwu.edu.cn

教育背景：

2007年9月— 2011年7月，西安交通大学，飞行器设计与工程，本科，导师：陈曦教授

2011年9月— 2013年7月，西安交通大学，工程力学，硕士，导师：陈曦教授

2013年9月— 2017年7月，哥伦比亚大学，地球与环境工程，博士，导师：陈曦教授

工作经历：

2017年9月— 2019年5月，哥伦比亚大学，地球与环境工程，博士后，导师：陈曦教授

2019年6月—今，西北大学，化工学院，教学科研岗。

教学工作：

主讲本科过程装备与控制工程专业《复变函数及应用》，《计算方法》课程。

研究框架：

研究方向：

高通量计算与数据驱动的新型功能材料预测：碳中和功能材料预测、二维柔性材料预测等；

面向新材料新结构的力电化耦合新机理研究；

湿度控制可逆化学反应在CO2空气捕捉领域的应用及其机理研究；

二维材料的反应力场及深度学习力场方法研发及其在二维材料纳米力学研究中的应用；

主持科研项目：

1.   中国科协青年人才托举工程项目，2020QNRC001，45万元，2021.1-2023.12，在研。

2.   国家自然科学基金青年科学基金项目，基于多原子离子替换的高通量新材料预测平台研发，

22203066，30万元，2023.01-2025.12，在研。

3.    陕西莱特光电材料股份有限公司项目，新型OLED材料的高通量量子化学预测与筛选，

200万元，2019.11- 2022.08，结题。

发表代表作（一作/通讯）： 

1    X. Shi, H. Xiao, W. Liu, Klaus. S. Lackner, V. Buterin and T. F. Stocker, Confronting the Carbon-Footprint Challenge of Blockchain, Environ. Sci. Technol., 2023, 57, 1403–1410.

2    Z. Xiong, H. Xiao and X. Chen, Fractal-inspired soft deployable structure: a theoretical study, Soft Matter, 2021, 17, 4834–4841.

3    Y. Han, L. Zhu, Y. Yao, X. Shi, Y. Zhang, H. Xiao and X. Chen, Strong bases behave as weak bases in nanoscale chemical environments: implication in humidity-swing CO2 air capture, Phys. Chem. Chem. Phys., 2021, 23, 14811–14817.

4    L. Zhu, W. Zhao, Y. Yan, X. Liao, A. Bourtsalas, Y. Dan, H. Xiao and X. Chen, Interaction between mechanosensitive channels embedded in lipid membrane, J. Mech. Behav. Biomed. Mater., 2020, 103, 103543.

5    Y. Zheng, X. Liao, H. Xiao, V. Haribal, X. Shi, Z. Huang, L. Zhu, K. Li, F. Li, H. Wang and X. Chen, Highly efficient reduction of O2-containing CO2 via chemical looping based on perovskite nanocomposites, Nano Energy, 2020, 78, 105320.

6    H. Xiao, Y. Dan, B. Suo and X. Chen, Comment on “Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials,” J. Phys. Chem. C, 2020, 124, 2247–2249.

7    J. A. Mills, H. Xiao and X. Chen, Examination of Prestressed Coating/Substrate Systems Using Spherical Indentation—Determination of Film Prestress, Film Modulus, and Substrate Modulus, J. Eng. Mater. Technol., 2020, 142, 011003.

8    D. Ju, G. Lin, H. Xiao, Y. Zhang, S. Su and J. Liu, Investigation of Water-Stable Perovskite DMASnIxBr3- x for Photoenzyme Catalysis in Aqueous Solution, Sol. RRL, 2020, 2000559.

9    J. Song, L. Zhu, X. Shi, Y. Liu, H. Xiao and X. Chen, Moisture Swing Ion-Exchange Resin-PO4 Sorbent for Reversible CO2 Capture from Ambient Air, Energy Fuels, 2019, 33, 6562–6567.

10    X. Liao, X. Deng, L. Zhu, X. Shi, H. Xiao and X. Chen, Mechanical modeling of pimple growth, J. Mech. Behav. Biomed. Mater., 2019, 95, 191–195.

11    Y. Chen, X. Wang, Y. Liu, H. Xiao and X. Chen, Effect of Local Terrace on Structure and Mechanics of Graphene Grain Boundary, J. Phys. Chem. C, 2019, 123, 28460–28468.

12    Y. Chen, X. Liao, X. Shi, H. Xiao, Y. Liu and X. Chen, Three-dimensional auxetic properties in group V–VI binary monolayer crystals X 3 M 2 (X = S, Se; M = N, P, As), Phys. Chem. Chem. Phys., 2019, 21, 5916–5924.

13    H. Xiao, X. Shi, Y. Zhang, M. Li, X. Liao and X. Chen, Predicting a two-dimensional P2S3 monolayer: A global minimum structure, Comput. Mater. Sci., 2018, 155, 288–292.

14    H. Xiao, X. Shi, X. Liao, Y. Zhang and X. Chen, Prediction of a two-dimensional S3N2 solid for optoelectronic applications, Phys. Rev. Mater., 2018, 2, 024002.

15    X. Liao, T. Nagakura, Y. Chen, L. Zhu, X. Shi, A. Yonezu, X. Chen and H. Xiao, Tunable surface morphology via patterned cavities in soft materials, Phys. Rev. E, 2018, 98, 063004.

16    X. Liao, Y. Chen, T. Nagakura, L. Zhu, M. Li, X. Shi, A. Yonezu, H. Xiao and X. Chen, Unconventional localization prior to wrinkles and controllable surface patterns of film/substrate bilayers through patterned cavities, Extreme Mech. Lett., 2018, 25, 66–70.

17    D. Ju, X. Zheng, J. Liu, Y. Chen, J. Zhang, B. Cao, H. Xiao, O. F. Mohammed, O. M. Bakr and X. Tao, Reversible Band Gap Narrowing of Sn-Based Hybrid Perovskite Single Crystal with Excellent Phase Stability, Angew. Chem. Int. Ed., 2018, 57, 14868–14872.

18    D. Ju, X. Jiang, H. Xiao, X. Chen, X. Hu and X. Tao, Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA 3 Sb 2 I 9, J. Mater. Chem. A, 2018, 6, 20753–20759.

19    F. Hao, X. Liao, M. Li, H. Xiao and X. Chen, Oxidation-induced negative Poisson’s ratio of phosphorene, J. Phys. Condens. Matter, 2018, 30, 315302.

20    Y. Chen, X. Shi, M. Li, Y. Liu, H. Xiao and X. Chen, Strain and defect engineering on phase transition of monolayer black phosphorene, Phys. Chem. Chem. Phys., 2018, 20, 21832–21843.

21    H. Xiao, X. Shi, Y. Zhang, X. Liao, F. Hao, K. S. Lackner and X. Chen, The catalytic effect of H 2 O on the hydrolysis of CO 3 2- in hydrated clusters and its implication in the humidity driven CO 2 air capture, Phys. Chem. Chem. Phys., 2017, 19, 27435–27441.

22    H. Xiao, X. Shi, F. Hao, X. Liao, Y. Zhang and X. Chen, Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene, J. Phys. Chem. A, 2017, 121, 6135–6149.

23    H. Xiao, X. Shi and X. Chen, Self-assembled nanocapsules in water: a molecular mechanistic study, Phys. Chem. Chem. Phys., 2017, 19, 20377–20382.

24    H. Xiao and X. Chen, A mechanical model of overnight hair curling, Eur. Phys. J. E, 2015, 38, 1–8.

25    H. Xiao and X. Chen, Modeling and simulation of curled dry leaves, Soft Matter, 2011, 7, 10794–10802.