Computational materials science, including: First-principles calculations, molecular dynamics, monte-calor method.

Ferroic smart material

Design of low dimensional nano materials

shape memory alloy

Functional Oxides.

07/2016-now, School of Materials Science and Engineering, Xi’an Jiaotong University, Shaanxi, China, Associate Professor,

10/2013-06/2016, School of Materials Science and Engineering, Xi’an Jiaotong University, Shaanxi, China, Lecture,

07/2011-08/2013, Department of Materials Engineering, Monash University, Australia, Post-doctoral,

12/2008-12/2010, Material physics group, Japan's national material research institute, Japan, Visiting Research Fellow,

07/1999-08/2005, Software Department, Xi'an Satellite Control Center, China, Software Engineer.

09/2007-07/2011, School of Materials Science and Engineering, Xi’an Jiaotong University, Shaanxi, China, Ph.D.

09/2005-08/2007, School of Materials Science and Engineering, Xi’an Jiaotong University, Shaanxi, China, Master.

09/1995-07/1999, School of Science, Xi’an Jiaotong University, Shaanxi, China, Bechalor.

[1] Junkai Deng*, Zhenyue Chang, Tong Zhao, Xiangdong Ding, Jun Sun and J. Z. Liu, “Electric Field Induced Reversible Phase Transition in Li Doped Phosphorene: Shape Memory Effect and Superelasticity”, Journal of the American Chemical Society (JACS), 138, 4772 (2016) 

[2] Zhenyue Chang, Junkai Deng, G. G. Chandrakumara, Wenyi Yan and J. Z. Liu, “Two dimensional shape memory graphene oxide”, Nature Communications, 7, 11972 (2016) 

[3] Junkai Deng, Alex Zunger and J. Z. Liu, “Cation ordering induced polarization enhancement for PbTiO3-SrTiO3 ferroelectric-dielectric superlattices”, Physical Review B rapid communication, 91, 081301 (2015) 

[4] M. Mortazavi, Chao Wang, Junkai Deng, Vivek B. Shenoy and Nikhil V. Medhekar, “Ab initio characterization of layered MoS2 as anode for sodium-ion batteries”, Journal of Power Sources, 268, 279 (2014) 

[5] Junkai Deng*, J. Z. Liu and N. V. Medhekar, “Enhanced Lithium adsorption and diffusion on silicene nanoribbons”, RSC Advances, 3, 20338 (2013) 

[6] S. Balendhran, Junkai Deng, J. Ou, J. Scott, J. Tang, K. L. Wang, S. Russo, S.Zhuiykov, M. S. Strano, N. Medhekar, S. Sriram, M. Bhaskaran, and Kourosh Kalantar-zadeh, “Enhanced Charge Carrier Mobility in Two-Dimensional High Dielectric Molybdenum Oxide”. Advanced Materials. 25, 109 (2013) (Selected as the frontispiece article) 

[7] M. Mortazavi, Junkai Deng, V. B. Shenoy, and N. V. Medhekar, “Elastic softening of alloy negative electrodes for Na-ion batteries”, Journal of Power Sources, 225, 207 (2013) 

[8] Junkai Deng, Ioanna Fampiou, J. Z. Liu, Ashwin Ramasubramaniam, and N. V. Medhekar, “Edge stresses of non-stoichiometric edges in two-dimensional crystals”, Applied Physics Letters, 100, 251906 (2012) 

[9] Junkai Deng, M. Mortazavi, N. V. Medhekar and J. Z. Liu, “Band engineering of Ni1-xMgxO alloys for photocathodes of high efficiency dye-sensitized solar cells”, Journal of Applied Physics, 112, 123703 (2012) 

[10] Junkai Deng, Xiangdong Ding, Turab Lookman, Tetsuro Suzuki, Kazuhiro Otsuka, Jun Sun, Avadh Saxena and Xiaobing Ren, “Microscopic mechanism of martensitic stabilization in shape-memory alloys: Atomic-level processes”, Physical Review B rapid communication, 81, 220101 (2010) (Selected as a editor’s suggestion paper)