研究领域或方向：
二维纳米功能材料
新能源材料设计
铁性智能材料原子模拟
工作经历：
2021/01-至今，西安交通大学，材料科学与工程学院材料学系，教授
2016/07-2020/12，西安交通大学，材料科学与工程学院材料学系，副教授
2013/10-2016/06，西安交通大学，材料科学与工程学院材料学系，新讲师
2011/07-2013/08，澳大利亚蒙纳什大学，材料工程系，博士后研究员
2008/12-2010/12，日本国立物质材料研究机构，材料物理组，客座研究员
1999/07-2005/08，中国西安卫星测控中心，软件室，软件工程师
科研项目：
国家自然科学基金面上项目：“二维In2Se3铁弹相变及形状记忆效应的原子模拟和实验验证”，负责人，2020-2023
国家重点研发计划“核安全与先进核能技术“专项”严重事故下堆芯熔融物行为与现象研究“项目：”熔池形态演化机理研究“，子课题负责人，2019-2022
国防基础科研计划：“自修复电池基础技术“，子课题负责人，2019-2021
国家自然科学基金港澳与海外****合作研究基金：“黑磷烯结构二维材料中基于不同物理机制的驱动效应研究”，负责人，2018-2019
国家自然科学基金面上项目：“形状记忆合金时效效应的微观机制和调控方法”，负责人，2015-2018
中国博士后基金特别资助：“基于准同型相界设计窄热滞后形状记忆合金的原子模拟”，负责人，2016-2018
陕西省自然科学基础研究计划：“BN纳米带边缘应变行为和电磁性能的相互调控”，负责人，2015-2016
中国博士后基金面上项目：“基于团簇展开方法的铁电体超晶格极化性能增强的研究”，负责人，2014-2016
学术成果：
[1] Lou Li, Huiying Cao, Bo Xu, Junkai Deng*, Jingran Liu, Yilun Liu, Xiangdong Ding, Jun Sun, Jefferson Zhe Liu，“Thermodynamic, Structural, and Piezoelectric Properties of Adatom-Doped Phosphorene and Its Applications in Smart Surfaces”， Physical Review Applied, 13, 054061 (2020)
[2] Kaiyun Chen, Junkai Deng*, Qian Shi, Xiangdong Ding, Jun Sun, Sen Yang, Jefferson Zhe Liu，“Charge doping induced reversible multistep structural phase transitions and electromechanical actuation in two-dimensional 1T’-MoS2”, Nanoscale, 12, 12541 (2020)
[3] Weijie Yang, Kaibin Chu, Lixue Zhang, Xiangdong Ding, Jun Sun, Jefferson Zhe Liu, Junling Song, Changxi Zheng and Junkai Deng*, “Lead-free molecular ferroelectric [N, N-dimethylimidazole] 3Bi2I9 with narrow bandgap”, Materials & Design, 108868 (2020)
[4] Junfu Qi, Yuefeng Yin, Xiangdong Ding, Jun Sun and Junka Deng*, “First-principles study of mechanical and optical properties for ZnS1-xOx alloying compounds”, Materials Today Communications, 101259 (2020)
[5] Chao Zhou, Yapeng Liu, Kaiyun Chen, Zhiyong Dai, Tianyu Ma, Yu Wang, Shuai Ren, Junkai Deng*, Rui Zhang, Fanghua Tian, Yin Zhang, Hao Zeng, Sen Yang, “Improved magnetostriction in Galfenol alloys by aligning crystal growth direction along easy magnetization axis”, Scientific Reports, 10, 1 (2020)
[6] Cheng Cheng, Shichao Zong, Jinwen Shi, Fei Xue, Yazhou Zhang, Xiangjiu Guan, Botong Zheng, Junkai Deng, Liejin Guo, “Facile preparation of nanosized MoP as cocatalyst coupled with g-C3N4 by surface bonding state for enhanced photocatalytic hydrogen production”, Applied Catalysis B: Environmental, 265, 118620 (2020)
[7] Yangyang Liu, Shizhao Xiong, Junkai Deng, Xingxing Jiao, Baorui Song, Aleksandar Matic, Jiangxuan Song, “Stable Li metal anode by crystallographically oriented plating through in-situ surface doping”, Science China Materials (2020)
[8] Zhuojun Duan, Mingyu Pi, Dingke Zhang, Peng Zhang, Junkai Deng* and Shijian Chen, “High hydrogen evolution performance of Al doped CoP3 nanowires arrays with high stability in acid solution superior to Pt/C”, International Journal of Hydrogen Energy, 44, 8062 (2019)
[9] Xiangbin Cai, Kaiyun Chen, Xiang Gao, Chao Xu, Mingzi Sun, Guanyu Liu, Xuyun Guo, Yuan Cai, Bolong Huang, Junkai Deng, Jefferson Zhe Liu, Antonio Tricoli, Ning Wang, Christian Dwyer, and Ye Zhu, “Revealing Atomic Structure and Oxidation States of Dopants in Charge-Ordered Nanoparticles for Migration-Promoted Oxygen-Exchange Capacity”, Chemistry of Materials, 31, 5769 (2019)
[10] Kaiyun Chen, Junkai Deng*, Xiangdong Ding, Jun Sun, Sen Yang, and J. Z. Liu, “Ferromagnetism of 1T’-MoS2Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width”, Journal of the American Chemical Society (JACS), 140, 16206 (2018)
[11] Xian Kong, Junkai Deng*, Lou Li, Yilun Liu, Xiangdong Ding, Jun Sun, and J. Z. Liu, “Tunable auxetic properties in group-IV monochalcogenide monolayers”, Physical Review B, 98, 184104 (2018)
[12] Yaoding Lou, Junkai Deng* and J. Z. Liu, “Density functional theory computational study of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3 (0?1?1) superlattices”, Journal of physics: Condensed Matter, 30, 155401 (2018)
[13] Jing Wang, Dingke Zhang, Junkai Deng, Shijian Chen, “Fabrication of phosphorus nanostructures/TiO2 composite photocatalyst with enhancing photodegradation and hydrogen production from water under visible light”, Journal of Colloid and Interface Science, 516, 215 (2018)
[14] Fei Xue, Maochang Liu, Cheng Cheng, Junkai Deng, and Jinwen Shi, “Localized NiS2 Quantum Dots on g-C3N4 Nanosheets for Efficient Photocatalytic Hydrogen Production from Water”, ChemCatChem, 10, 5441 (2018)
[15] Junkai Deng*, Yuefeng Yin, Huanhuan Niu, Xiangdong Ding, Jun Sun and Nikhil Medhekar, “The Edge Stresses and Phase Transitions for Magnetic BN Zigzag Nanoribbons”, Scientific Reports, 7, 7855 (2017)
[16] Hongpeng Zhou, Shixin Xu, Dingke Zhang, Shijian Chen and Junkai Deng*, “One step in situ synthesis of core–shell structured Cr2O3:P@fibrous-phosphorus hybrid composites with highly efficient full-spectrum-response photocatalytic activities” Nanoscale, 9, 3196 (2017)
[17] Jianchao Bai, Jicheng Li and Junkai Deng, “A class of multilevel structured low-rank approximation arising in material processing”, International Journal of Computer Mathematics, 1-12 (2017)
[18] 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)
[19] Zhenyue Chang, Junkai Deng, G. G. Chandrakumara, Wenyi Yan and J. Z. Liu, “Two dimensional shape memory graphene oxide”, Nature Communications, 7, 11972 (2016)
[20] Zhenyue Chang, Junkai Deng, G. G. Chandrakumara, Wenyi Yan and J. Z. Liu, “Two-way actuation of graphene oxide arising from quantum mechanical effects”, Applied Physics Letters, 109, 143902 (2016)
[21] Jinwen Shi, Ya Liu, Zhenxiong Huang, Zhaohui Zhou, Junkai Deng, Xu Liu and Mingtao Li, “Novel cubic-phase pyrochlore Sb(III)2Sn(IV)2O7 transformed from Sn(II)2Sb(V)2O7: First-principles calculation-based prediction and experimental evidence”, Materials and Design, 110, 207 (2016)
[22] 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)
[23] Yong Fang, Yuan-Yen Tai, Junkai Deng, Chao Wu, Xiangdong Ding, Jun Sun and Ekhard K H Salje, “Fe-vacancy ordering in superconducting K1?xFe2?ySe2: first-principles calculations and Monte Carlo simulations”, Superconductor Science and Technology, 28, 095004 (2015)
[24] 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)
[25] Junkai Deng*, J. Z. Liu and N. V. Medhekar, “Enhanced Lithium adsorption and diffusion on silicene nanoribbons”, RSC Advances, 3, 20338 (2013)
[26] 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)
[27] 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)
[28] Zhen Zhang, Xiangdong Ding, Junkai Deng, Jian Cui , Jun Sun , Tetsuro Suzuki , Kazuhiro Otsuka , and Xiaobing Ren, “Surface Effects on Structural Phase Transformations in Nano-Sized Shape Memory Alloys”, Journal of Physical Chemistry C, 117, 7895 (2013)
[29] 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)
[30] 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)
[31] Kazuhiro Otsuka, Avadh Saxena, Junkai Deng and Xiaobing Ren, “Mechanism of the shape memory effect in martensitic alloys: an assessment”, Philosophical Magazine, 91, 4514 (2011)
[32] 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)
[33] Junkai Deng, Xiangdong Ding, Turab Lookman, Tetsuro Suzuki, Kazuhiro Otsuka, Jun Sun, Avadh Saxena and Xiaobing Ren, “Origin of ultrafast annihilation effect of martensite aging: Atomistic simulations”, Physical Review B, 82, 184101 (2010)
[34] Junkai Deng, Xiangdong Ding, Zhen Zhang, Turab Lookman, Tetsuro Suzuki, Kazuhiro Otsuka, Jun Sun, Avadh Saxena and Xiaobing Ren, “Evidence for short-time limit of martensite deaging in shape-memory alloys: Experiment and atomistic simulation”, Applied Physics Letters, 97, 171902 (2010)
[35] Suzhi Li, Xiangdong Ding, Junkai Deng, Turab Lookman, Ju Li, Xiaobing Ren, Jun Sun, and Avadh Saxena, “Superelasticity in bcc nanowires by a reversible twinning mechanism”, Physical Review B, 82, 205435 (2010)