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[1] 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) [2] 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) [3] 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) [4] Zhenyue Chang, Junkai Deng, G. G. Chandrakumara, Wenyi Yan and J. Z. Liu, “Two dimensional shape memory graphene oxide”, Nature Communications, 7, 11972 (2016) [5] 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) [6] 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) [7] 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) [8] 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) [9] 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) [10] Junkai Deng*, J. Z. Liu and N. V. Medhekar, “Enhanced Lithium adsorption and diffusion on silicene nanoribbons”, RSC Advances, 3, 20338 (2013) [11] 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) [12] 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) [13] 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) [14] 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) [15] 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) [16] 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) [17] 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) [18] 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) [19] 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) [20] 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)