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》课程。


研究领域：


（1）借助高通量量子化学计算来预测新型能源材料和新型化工材料，即“算”出新材料；


（2）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；


（3）新型二维材料（2D Materials）的理论预测；


（4）二维材料的反应力场（Reactive Force Field）开发。



主持科研项目：


1. 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- 2021.08，在研。


发表代表作要有：


1.Xiao, H.*; Dan, Y.*; Suo, B.; Chen, X. Comment on“Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials.”J. Phys. Chem. C2020,acs.jpcc.9b10295.https://doi.org/10.1021/acs.jpcc.9b10295.


2.Shi, X.;Xiao, H.;Azarabadi, H.; Song, J.; Wu, X.; Chen, X.*; Lackner, K. S. Sorbents for Direct Capture of CO2 from Ambient Air.Angew. Chem. Int. Ed.2019.https://doi.org/10.1002/anie..


3.Song, J.; Zhu, L.; Shi, X.; Liu, Y.*;Xiao, H.*; Chen, X. Moisture Swing Ion-Exchange Resin-PO₄Sorbent for Reversible CO₂Capture from Ambient Air.Energy Fuels2019,acs.energyfuels.9b00863.https://doi.org/10.1021/acs.energyfuels.9b00863.


4.Liao, X.;Nagakura, T.; Chen, Y.; Zhu, L.; Shi, X.;Yonezu, A.; Chen, X.;Xiao, H.* Tunable Surface Morphology via Patterned Cavities in Soft Materials.Physical Review E2018,98(6).https://doi.org/10.1103/PhysRevE.98.063004.


5.Chen, Y.; Liao, X.; Shi, X.;Xiao, H.*; Liu, Y.*; Chen, X. Three-Dimensional Auxetic Properties in Group V-VI Binary Monolayer Crystals X3M2 (X=S, Se; M=N, P, As).Phys. Chem. Chem. Phys.2018.https://doi.org/10.1039/C8CP05260C.


6.Liao, X.; Chen, Y.;Nagakura, T.; Zhu, L.; Li, M.; Shi, X.; Yonezu, A.;Xiao, H.*; Chen, X. Unconventional Localization Prior to Wrinkles and Controllable Surface Patterns of Film/Substrate Bilayers through Patterned Cavities.Extreme Mechanics Letters2018.https://doi.org/10.1016/j.eml.2018.10.009.


7.Ju, D.; Jiang, X.;Xiao, H.*; Chen, X.; Hu, X.; Tao, X.* Narrow Band Gap and High Mobility of Lead-Free Perovskite Single Crystal Sn-Doped MA 3 Sb 2 I 9.Journal of Materials Chemistry A2018.https://doi.org/10.1039/C8TA08315K.


8.Ju, D.; Zheng, X.; Liu, J.; Chen, Y.; Zhang, J.; Cao, B.;Xiao, H.*; Mohammed, O. F.; Bakr, O. M.*; Tao, X.* Reversible Band Gap Narrowing of Sn-Based Hybrid Perovskite Single Crystal with Excellent Phase Stability.AngewandteChemieInternational Edition2018,0(ja).https://doi.org/10.1002/anie..


9.Xiao, H.; Shi, X.; Zhang, Y.; Li, M.; Liao, X.; Chen, X. Predicting a Two-Dimensional P2S3 Monolayer: A Global Minimum Structure.Computational Materials Science2018,155, 288–292.https://doi.org/10.1016/j.commatsci.2018.08.061.


10.Hao, F.; Liao, X.; Li, M.;Xiao, H.*; Chen, X. Oxidation-Induced Negative Poisson’s Ratio of Phosphorene.J. Phys.:Condens. Matter2018.https://doi.org/10.1088/1361-648X/aacfd1.


11.Chen, Y.; Shi, X.; Li, M.; Liu, Y.*;Xiao, H.*; Chen, X. Strain and Defect Engineering on Phase Transition of Monolayer Black Phosphorene.Physical Chemistry Chemical Physics2018.https://doi.org/10.1039/C8CP01334A.


12.Chen, Y.;Xiao, H.; Liu, Y.*; Chen, X.* Effects of Temperature and Strain Rate on Mechanical Behaviors of Stone–Wales Defective Monolayer Black Phosphorene.J. Phys. Chem. C2018,122(11), 6368–6378.https://doi.org/10.1021/acs.jpcc.7b11494.


13.Xiao, H.; Shi, X.; Liao, X.; Zhang, Y.; Chen, X.* Prediction of a Two-Dimensional S3N2 Solid for Optoelectronic Applications.Phys. Rev. Materials2018,2(2), 024002.https://doi.org/10.1103/PhysRevMaterials.2.024002.


14.Liao, X.;Xiao, H.; Lu, X.; Chen, Y.; Shi, X.; Chen, X.* Closed-Edged Bilayer Phosphorene Nanoribbons Producing from Collapsing Armchair Phosphorene Nanotubes.Nanotechnology2018,29(8), 085707.https://doi.org/10.1088/1361-6528/aaa52d.


15.Xiao, H.; Shi, X.; Zhang, Y.; Liao, X.; Hao, F.; SLackner, K.; Chen, X.* The Catalytic Effect of H2O on the Hydrolysis of CO32- in Hydrated Clusters and Its Implication to the Humidity Driven CO2 Air Capture.Physical Chemistry Chemical Physics2017.https://doi.org/10.1039/C7CP04218C.


16.Xiao, H.; Shi, X.; Hao, F.; Liao, X.; Zhang, Y.; Chen, X.* Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene.J. Phys. Chem. A2017,121(32), 6135–6149.https://doi.org/10.1021/acs.jpca.7b05257.


17.Xiao, H.; Shi, X.; Chen, X.* Self-Assembled Nanocapsules in Water: A Molecular Mechanistic Study.Phys. Chem. Chem. Phys.2017.https://doi.org/10.1039/C7CP02631E.


18.Shi, X.;Xiao, H.; Chen, X.*; Lackner, K. S.* The Effect of Moisture on the Hydrolysis of Basic Salts.Chemistry - A European Journal2016,22(51), 18326–18330.https://doi.org/10.1002/chem..


19.Shi, X.;Xiao, H.; Lackner, K. S.*; Chen, X.* Capture CO2 from Ambient Air Using Nanoconfined Ion Hydration.Angew. Chem.2016,128(12), 4094–4097.https://doi.org/10.1002/ange..


20.Xiao, H.; Chen, X.* A Mechanical Model of Overnight Hair Curling.Eur. Phys. J. E2015,38(9),1-8.https://doi.org/10.1140/epje/i2015-15095-2.


21.Xiao, H.; Chen, X.* Modeling and Simulation of Curled Dry Leaves.Soft Matter2011,7(22), 10794-10802.https://doi.org/10.1039/C1SM05998J.


课题组主页：https://xiaohang007.github.io/