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31) Huaping Lei, Jun Chen and  Pierre Ruterana, Comparative studies of interatomic potentials for modeling point defects in wurtzite GaN, AIP Advances 13, 015015 (2023).  (Link)

30) L.M. Wei, J.Y. Li, Y.G. Li*, C.P. Niu, Q.R. Zheng, F. Cheng, C.G. Zhang and Z. Zeng*, First-principles study of He retention and clustering in Al-Ga alloy, Int. J. Mod. Phys. C  (2023) 34, 2350071  (2023). (Link)

29) Wenfeng Wu, Xiaoteng Huang, Hanyu Wang, Weihua Wang, DaYong Liu, XiangLong Yu, Zhi Zeng* and LiangJian Zou*, High-temperature magnetically topological candidate material Mn3Bi2Te6 J. Phys.: Condens. Matter (2023). (Link)

28) M.S.S. Khan, S.F. Mao, Y.B. Zou**, D.B. Lu, B. Da, Y.G. Li, Z.J. Ding*, An extensive theoretical quantification of secondary electron emission from silicon, Vacuum. (2023). (Link)

27) J. M. Gong, M. S. S. Khan, B. Da*, H. Yoshikawa,  S. Tanumad and Z. J. Ding *, A theoretical characterization method for non-spherical core–shell nanoparticles by XPS, Phys. Chem. Chem. Phys. (2023).  (Link)

26) M. S. S. Khan, S. F. Mao, Y. B. Zou, Y. G. Li*, B. Da, Z. J. Ding*, Uncertainty evaluation of Monte Carlo simulated line scan profiles of a critical dimension scanning electron microscope (CD-SEM), J. Appl. Phys. 133, 245303 (2023). (Link)

25) Mahwish Yousaf, Muhammad Saaadat Shakoor Khan, Shamsher Ullah, Shou Wang, Li Jing, NR-Isomap: An Incremental Approach with Gaussian Process Kernels for Denoising, 2023 6th International Conference on Big Data and Artificial Intelligence. (Link)

24) Yahan Meng, Mingming Wang, Jingwen Xu, Kui Xu, Kai Zhang, Zehui Xie, Zhengxin Zhu, Weiping Wang, Pengfei Gao, Xiangyang Li*, Wei Chen*, Balancing interfacial reactions through regulating p-band centers by an indium tin oxide protective layer for stable Zn metal anodes, Angewandte Chemie International Edition 62, e202308454(2023). (Link)

23) Chuanguo Zhang, Qirong Zheng, Yonggang Li*, Liuming Wei, Fan Cheng, Zhi Zeng*, Fast generation of reliable primary radiation damage of BCC tungsten by sampling molecular dynamics databases, Nuclear Materials and Energy 35, 101443(2023). (Link)

22) Zhuoyang Ti, Jianbo Zhu, Shuping Guo, Jingyu Li, Xiaobing Liu, and Yongsheng Zhang, Bonding Properties of Rubik’s-Cube-like Slater-Pauling Heusler Semiconductors for Thermoelectrics, Phys. Rev. B 108, 195203 (2023). (Link)

21) Wenfeng Wu, Zhi Zeng and Xianlong Wang*, Investigations of Pressurized Lu–N–H Materials by Using the Hybrid Functional J. Phys. Chem. C (2023) (Link)

20)  Wenming Xia, Caoping Niu, Jing Zhao, Xianlong Wang*. Effects of Fe and Al distributions on the Pv–PPv phase transition pressure of MgSiO3Geophysical Journal International 235, 1130-1137 (2023) (Link)

19) Guo Chen, Caoping Niu , Wenming Xia, Jie Zhang, Zhi Zeng, and Xianlong Wang*, Route to Stabilize Cubic Gauche Polynitrogen to Ambient Conditions via Surface Saturation by Hydrogen, Chinese Physics Letters (Express Letter)40, 086102 (2023). (Link)

18) Ziqi Han and Chun-Sheng Liu and Xiaohong Zheng* and Lei Zhang*,Giant tunneling electroresistance in a 2D bilayer-In2Se3-based out-of-plane ferroelectric tunnel junction, Phys. Chem. Chem. Phys. 25, 18158-18165 (2023). (Link)

17) Kaishuai Yang, Xixi Tao,  Zhi Zeng  and Xianlong Wang *, Effffects of pressure on hydrogen diffffusion behaviors in MgO, Phys. Chem. Chem. Phys. 25, 19824 (2023)  (Link)

16) Zhenyang Zhai, Guo Chen,, Jie Zhang*, Xianlong Wang*, Zhi Zeng, Investigations of point defect and interface in cg-N under high-pressure, AIP Advances 13, 055324 (2023) (Link)

15) Guoren Zhang and Eva Pavarini, Multiorbital Nature of Doped Sr2IrO4Phys. Rev. Lett. 131, 036504 (2023) (Link)

14) Wei Xiao, Xiaohong Zheng*, Hua Hao, Lili Kang, Lei Zhang*, and Zhi Zeng, Greatly enhanced tunneling electroresistance in ferroelectric tunnel junctions with a double barrier design,  npj Computational Materials 9, 144 (2023) (Link)

13) Caoping Niu, Jing Zhao, Wenming Xia, Guo Chen, Wei Luo, Jie Zhang*, Rajeev Ahuja*, and Xianlong Wang*, Configuration stability and physical properties of new diamondene structure, Materials Today Communications 36,  106465 (2023) (Link)

12) Mi Qin, Xuemei Zhang, Jianbo Zhu, Yuming Yang, Zhuoyang Ti, Yaoling Shen, Xianlong Wang, Xiaobing Liu* , and Yongsheng Zhang*, A machine learning methodology to investigate the lattice thermal conductivity of defected PbTe, Journal of Materials Chemistry A 11, 10312 (2023) (Link)

11) Peng Cheng, Tingting Ye, Jinwei Yan, Kai Zhang, Deyuan Yao, Xiaomei Pan, Yunfeng Wang, Erqiao Xue, Fuhai Su, Jie Zhang,* and Junfeng Ding*.Semiconductor–Semimetal Transition-Driven Photocurrent Spurt and Infrared Band Response in Lead Iodide at High Pressure. Adv. Optical Mater. 2023, 2300316. (2023)(Link)

10)Tingting Ye, Peng Cheng, Hong Zeng, Deyuan Yao, Xiaomei Pan, Erqiao Xue, and Junfeng Ding. Pressure-induced core defects and photoluminescent quenching in carbon quantum dots. Applied Physics Letters 122, 051601 (2023)(Link)

9)Xiaomei Pan, Baojuan Xin, Hong Zeng, Peng Cheng, Tingting Ye, Deyuan Yao, Erqiao Xue, Junfeng Ding, and Wei-Hua Wang. Pressure-Induced Structural Phase Transition and Enhanced Interlayer Coupling in Two-Dimensional Ferromagnet CrSiTe3. Journal of Physical Chemistry Letters. 14, 3320-3328 (2023).(Link

8) Aijie Xie, Hua Hao, Chun-Sheng Liu, Xiaohong Zheng*, Lei Zhang*, and Zhi Zeng, Giant tunnel electroresistance in two-dimensional ferroelectric tunnel junctions constructed with a Sc2CO2/In2Se3 van der Waals ferroelectric heterostructure, Phys. Rev. B 107, 115427 (2023).  (Link)

7) Ning Cao,William Bro-Jørgensen,Xiaohong Zheng*,Gemma C. Solomon*, Visualizing and comparing quantum interference in the π-system and σ-system of organic molecules, J. Chem. Phys. 158, 124305 (2023). (Link)

6) Ziqi Han, Hua Hao, Xiaohong Zheng*, and Zhi Zeng, Bipolar spin-filtering and giant magnetoresistance effect in spin-semiconducting zigzag graphene nanoribbons, Phys. Chem. Chem. Phys. 25, 6461– 6466 (2023). (Link)

5)Peng Cheng, Deyuan Yao, Jinwei Yan, Tingting Ye, Huanhuan Liu, Hong Zeng, Xiaomei Pan, Genqiang Zhang, and Junfeng Ding. Pressure-Optimized Band Gap and Enhanced Photoelectric Response of Graphitic Carbon Nitride with Nitrogen Vacancies. Physical Review Applied 19, 024048 (2023) (Link)

4) Jun Liu, Pengdi Li, Qirong Zheng, Chuanguo Zhang,  Yonggang Li*, Yongsheng Zhang, Gaofeng Zhao*, Xiaolan Yan,  Bing Huang, Zhi Zeng, Carrier Capture Dynamics of Deep-Level Defects in Neutron-Irradiated Si With Improved Intracascade Potential, IEEE TRANSACTIONS ON NUCLEAR SCIENCE 70, 2 (2023). (Link)

3) Guangbao Lu, Jun Liu, Chuanguo Zhang, Yang Gao, Yonggang Li*, Dynamic modeling of total ionizing dose-induced threshold voltage shifts in MOS devices, Chin. Phys. B 32, 018506 (2023). (Link)

2) Yuejun Li, Xiaofei Shang, Yanhong Zhou and *Xiaohong Zheng, Realizing pure spin current by photogalvanic effect in armchair   graphene nanoribbons with nano-constriction engineering, Phys. Chem. Chem. Phys. 25, 2890-2896 (2023). (Link)

1) Fan Cheng,Yonggang Li*,  Qirong Zheng, Liuming Wei, Chuanguo Zhang*, Bo Da, Zhi Zeng, Sensitivity of ion implantation to low-energy electronic stopping cross-sections, Radiat. Phy. Chem. 23, 110681 (2023). (Link)

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