代表性成果

1. Ziyuan Zhao, Shoutao Zhang, Tong Yu, Haiyang Xu, Aitor Bergara and Guochun Yang, Predicted Pressure-Induced Superconducting Transition in Electride Li₆P. Phys. Rev. Lett. 122, 097002 (2019)。

2. Xiaohua Zhang, Yansun Yao, Shicong Ding, Aitor Bergara, Fei Li, Yong Liu, Xiang-Feng Zhou and Guochun Yang, Superconductivity in Li₈Au electride. Phys. Rev. B 107, L100501 (2023)。

3. Tong Yu, Ziyuan Zhao, Lulu Liu, Shoutao Zhang, Haiyang Xu and Guochun Yang, TiC₃ Monolayer with High Specific Capacity for Sodium-Ion Batteries. J. Am. Chem. Soc. 140, 18, 5962 (2018)

4. Tong Yu, Ziyuan Zhao,Yuanhui Sun, Aitor Bergara, Jianyan Lin, Shoutao Zhang, Haiyang Xu, Lijun Zhang, Guochun Yang* and Yichun Liu*, Two-Dimensional PC₆ with Direct Band Gap and Anisotropic Carrier Mobility. J. Am. Chem. Soc. 141, 4, 1599 (2019)

5. Guochun Yang, Yanchao Wang, Feng Peng, Aitor Bergara and Yanming Ma*, Gold as a 6p-Element in Dense Lithium Aurides. J. Am. Chem. Soc. 138, 12, 4046 (2016)

6. Daxian Cao, Xiao Sun, Fei Li, Seong-Min Bak, Tongtai Ji, Michael Geiwitz, Kenneth S. Burch, Yonghua Du, Guochun Yang*, Hongli Zhu*, Understanding Electrochemical Reaction Mechanisms of Sulfur in All-Solid-State Batteries through Operando and Theoretical Studies. Angew. Chem. Int. Ed. 62, e202302363 (2023)

论文发表情况

2023年

1. Yaping Zhao, Jiayu Gao, Xiaohua Zhang*, Shicong Ding, Yong Li and Guochun Yang*, Superconducting Li₁₁Sb₂ electride at ambient pressure. J. Mater. Chem. C, 11, 17087 (2023)

2. Javed Rehman, Tong Yu*, Adel EI-marghany, Mohamed F. Shibl, and Guochun Yang*, Highly Conductive and Stable Two-Dimensional WC₄ Acting as an Efficient Anode Material for Alkali-Metal Ion Batteries: Insight from DFT. J. Phys. Chem. C, 127, 23592 (2023)

3. Wenyuan Zhang, Huan Lou and Guochun Yang*, 2D Metal-Free BSi₅ with an Intrinsic Metallicity and Remarkable HER Activity. J. Phys. Chem. Lett., 14, 11036 (2023)

4. Xu Yan, Fanjunjie Han, Yansun Yao, Xiaohua Zhang, Yong Liu, and Guochun Yang*, Semiconducting Cr₂BN monolayer with antiferromagnetic order. Phys. Rev. B, 108, 174402 (2023)

5. Zixuan Guo, Xing Li, Aitor Bergara, Shicong Ding, Xiaohua Zhang, Guochun Yang, Pressure-induced evolution of stoichiometries and electronic structures of host–guest Na–B compounds. Matter Radit. Extremes, 8, 068401 (2023)

6. Xu Yan, Sheng Wang, Yuanhui Sun*, Yong Liu, Yanchao Wang, and Guochun Yang*, Semiconducting Bilayer Borophene with High Carrier Mobility. J. Phys. Chem. Lett., 14, 9698 (2023)

7. Yaping Zhao, Aitor Bergara, Xiaohua Zhang, Fei Li, Yong Liu and Guochun Yang, Interstitial anionic electrons favoring superconductivity in Li-As electrides. Phys. Rev. B, 108, 104505 (2023)

8. Huan Lou, Udo Schwingenschlogl, Guochun Yang, FeC₆N monolayer with ideal properties for water splitting. Appl. Surf. Sci., 626, 157203 (2023)

9. Daxian Cao, Xiao Sun, Fei Li, Seong-Min Bak, Tongtai Ji, Michael Geiwitz, Kenneth S. Burch, Yonghua Du, Guochun Yang*, Hongli Zhu*, Understanding Electrochemical Reaction Mechanisms of Sulfur in All-Solid-State Batteries through Operando and Theoretical Studies. Angew. Chem. Int. Ed., 62, e202302363 (2023)

10. Xiaohua Zhang, Yansun Yao, Shicong Ding, Aitor Bergara, Fei Li, Yong Liu, Xiang-Feng Zhou and Guochun Yang, Superconductivity in Li₈Au electride. Phys. Rev. B, 107, L100501 (2023)

11. Fanjunjie Han, Xu Yan, Fei Li, Hong Yu, Wenjing Li, Xin Zhong, Aitor Bergara, and Guochun Yang, Prediction of monolayer FeP4 with intrinsic half-metal ferrimagnetism above room temperature. Phys. Rev. B, 107, 024414 (2023)

12. Xu Yan, Fanjunjie Han, Yong Liu and Guochun Yang*, Antiferromagnetic Fe₃As nanostructure with a unique planar Fe arrangement. J. Mater. Chem. C, 11, 16766 (2023)

13. Zhicui Wang, Huan Lou, Xu Yan, Yong Liu and Guochun Yang*, 2D antiferromagnetic semiconducting FeCN with interesting properties. Phys. Chem. Chem. Phys., 25, 32416 (2023)

14. Fanjunjie Han, Xu Yan, Aitor Bergara, Wenjing Li, Hong Yu, and Guochun Yang*, A Janus CrSSe monolayer with interesting ferromagnetism. Phys. Chem. Chem. Phys., 25, 29672 (2023)

15. Jiayu Gao, Wenyuan Zhang, Xu Yan, Xiaohua Zhang, Sheng Wang, Guochun Yang, Metallic CrP₂ monolayer: potential applications in energy storage and conversion. Phys. Chem. Chem. Phys., 25, 24705 (2023)

16. Wenjing Li, Xing Li, Xiaohua Zhang, Hong Yu, Fanjunjie Han, Aitor Bergara, Jianyan Lin, Jinhui Wu, and Guochun Yang*, Emergent superconductivity in TaO₃ at high pressures. Phys. Chem. Chem. Phys., 25, 23502 (2023)

17. Zhicui Wang, Huan Lou, Fanjunjie Han, Xu Yan, Yong Liu, and Guochun Yang*, An antiferromagnetic semiconducting FeCN₂ monolayer with a large magnetic anisotropy and strong magnetic coupling. Phys. Chem. Chem. Phys., 25, 21521 (2023)

18. Huan Lou, and Guochun Yang*, A metallic La3C2 monolayer with remarkable activity for the hydrogen evolution reaction: a first-principles study. J. Mater. Chem. A, 11, 6394 (2023)