RG2

Crystal-space traveler

36.      Chang-Chun He, Shao-Gang Xu, Shao-Bin Qiu, Chao He, Yu-Jun Zhao, XiaoBao Yang and Hu Xu, Five-fold Symmetry in Au-Si metallic glass, Nanoscale, 14, 12757, 2022.

37.      QingYang Fan, Heng Gao, RunLing Yang, Wei Zhang, Xinhai Xu and SiNing Yu,  A superhard orthorhombic carbon allotrope, Chinese Journal of Physics, 79, 409, 2022.

38.      MingQing Liao, Jumahan Maimaitimusha, XueTing Zhang, Jinchuan Zhu and Fengjiang Wang, P212121-C16: An ultrawide bandgap and ultrahard carbon allotrope with the bandgap larger than diamond,  Frontiers of Physics, 17, 63507, 2022.

39.      ​Liping Qiao, Qingyang Fan and Guofeng Teng, Designing two sp3 hybridization polymorphs of BN: A comprehensive study, Diamond & Related Materials, 130, 109468, 2022.

40.      Yanxing Song， Changchun Chai， Qingyang Fan， Wei Zhang， Yintang Yang Zeolite framework silicon allotropes with direct band gap，Arabian Journal of Chemistry, 15,104337, 2022.

41.      Donglin Guo, Zhengmeng Xu, Hongli Zhang, Chunhong Li, Jianchun Sun, Xianfu Luo, Yilong Ma, Anharmonic phonon renormalization assisted acoustic branch scattering induces, ultralow thermal conductivity and high thermoelectric performance of 2D SnSe, Journal of Alloys and Compounds, 932,167525, 2022.

42.      Mengjiang Xing and Xiaozhen Li, The Physical Properties of a Novel Carbon Allotrope in Tetragonal Symmetry, Journal of Electronic Materials,52,2071,2023.

43.      QingYang Fan, Yichao Sun, YingBo Zhao, Yanxing Song and Sining Yun, Group 14 elements in the Cmcm phase with a direct band structure for photoelectric application, Physica Scripta, 98, 015701, 2023.

44.      MengJiang Xing, Chao Qian and XiaoZhen Li, Two novel carbon allotropes with tetragonal symmetry: First-principles calculations, The Journal of Solid state chemistry, 309, 122971 2022.

45.  W.Q. Li, R. Tan, P. Zhou and L. Z. Sun, A novel carbon-nitride Dirac semimetal C5N4 monolayer, Physica E, 43, 115350, 2022.

46.  YingBo Zhao and Qingyang Fan, Three new C-N compounds in orthorhombic symmetry: Theoretical investigations, Diamond & Related Materials, 127, 109181, 2022.

47.  QingYang Fan, RuiDa Zhao, YingBo Zhao, Yanxing Song and Sining Yun, Two new BN polymorphs with wide-bandgap, Diamond & Related Materials, 130, 109410, 2022.

48.  QingYang Fan, Heng Liu, Li Jiang, Wei Zhang, Xinhai Yu and Sining Yun, Four carbon allotropes From COT structures, ACS Applied Electronic Materials, 4, 2353, 2022.

49.  QingYang Fan, Shuaiming Chen, Yingbo Zhao, Xinhai Yu and Sining Yun, Tower carbon: a new large-cell carbon allotrope, Journal of Physics: Condensed Matter, 34, 365702, 2022.

50.  MengJiang Xing and XiaoZhen Li, An orthorhombic carbon allotrope with a quasi-direct band gap and superhard, Diamond & Related Materials, 131, 109592, 2023.

51.      QingSong Ding, ChaoBo Luo, XiangYang Peng, XiZhi Shi, Chaoyu He and Jianxin Zhong, First-principles study of distributions of Si atoms and structures of siligraphene g-SiC7, Acta Physica Sinica, 70, 196101 (2021).

52. Ruida Zhao, Qingyang Fan, Runling Yang, Yanxing Song, Xinhai Yu, Sining Yun, Exploration and investigation of stable novel Al2O3 by high-throughput screening and density functional theory Author links open overlay panel，Journal of Materials Research and Technology, 23,4244 (2023). 

53.Hui Yuan，Qun Wei, Xiaofei Jia, Meiguang Zhang, Zhenhua Wu, Xuanmin Zhu，The stability, mechanical, and electronic properties of the Cr–Mo–B system: First-principles predictions，Ceramics International，49，31302，(2023).

54.Zhe Xue, Rui Tan, Hongxia Wang, Jinzhong Tian, Xiaolin Wei, Hua Hou, Yuhong Zhao, A novel tetragonal T-C2N supported transition metal atoms as superior bifunctional catalysts for OER/ORR: From coordination environment to rational design, Journal of Colloid And Interface Science,651,149 (2023).

55.Qingyang Fan, Jie Wu, Yingbo Zhao, Yanxing Song and Sining Yun, High-throughput calculation screening for new silicon allotropes with monoclinic symmetry, IUCrJ，10，464(2023).

56. Qingyang Fan, Ruida Zhao, Yingbo Zhao, Yanxing Song and Sining Yun, BN polymorphs in Hexagonal 2-7 stacking Orders: First-Principles and High-Throughput Study, Cryst. Growth Des., 23, 7725 (2023).

57. Jialuo Dong, Pan Zhou, YuZhong Hu and Lizhong Sun, New two-dimensional flat band materials: B3C11O6 and B3C15O6, Phys. Chem. Chem. Phys, 25,30656 (2023).

58. YaHui Li, YingJie Feng, Desheng Zheng, Xiuyun Zhao, Yue Zhou, Xiaoyue Fu and Xin Chen, High-performance screening of carbon-nitride single-atom catalysts for oxygen electrode reaction in rechargeable metal–air batteries, Chemical Engineering Journal, 476, 146753 (2023).

59.      Heng Liu, MengJiang Xing and Qingyang Fan, Four superhard tetragonal carbon allotropes: First-principles calculations, Diamond & Related Materials, 135, 109854,2023.

60.  Qingyang Fan, Gege Min, Li Liu, Yingbo Zhao, Xinhai Yu and Sining Yun, Accelerate the design of new superhard carbon allotropes in Pca21 space group: High-throughput screening and machine learning strategies, Diamond & Related Materials, 143, 110928,2024.

61.   Zhenyang Ma, Mingming Duan and Chunlei Shi, Design and investigated a novel BN polymorph in orthorhombic phase, Diamond & Related Materials, 141, 110558,2024.

62.  Manqi You, Gencai Guo, Yujie Liao, Siwei Luo, Chaoyu He, Chao Tang and Jianxin Zhong, 2D novel C5N2 allotropes: High-performance anode materials for alkali metal ion battery, Journal of Energy Storage 84,111004,2024.

63. Qingyang Fan, Xin Ai, Yanxing Song, Xinhai Yu, Sining Yun,A novel large-cell boron nitride polymorph, Computational Materials Science 234,112777,2024.

64.Teng Wan, Qingyang Fan, Xinhai Yu, Sining Yun, Two novel silicon allotropes in monoclinic phase, Chemical Physics Letters, 847,141367,2024.

65.Baoru Pan, Pan Zhou, Huaping Xiao, Xuejuan Yang, Lizhong Sun, Prediction of two-dimensional carbon nitride materials with semimetal states and flat bands, Carbon, 228,119277,2024.

66.Rui Tan, Zehou Li, Zhe Xue, Zhenkun Tang, Xiaolin Wei, Semimetallic state transition in Two-Dimensional carbon nitride covalent networks and enhanced electrocatalytic activity for nitrate to ammonia conversion, Journal of Colloid and Interface Science, 669,14-22,2024.

67.Qingyang Fan, Wenjiao Li, Nan Wu, Yingbo Zhao, Yanxing Song, Xinhai Yu, Sining Yun, Study of the novel boron nitride polymorphs: First- principles calculations and machine learning, Chinese Journal of Physics, 89,1908–1919,2024.

68.Min Jia1, Qingyang Fan, Xinhai Yu, Dangli Gao, Sining Yun, Physical performances for six novel Si allotropes in hexagonal 15 and 18 stacking orders, Physica B: Physics of Condensed Matter, 690,416256, 2024.

69.Teng Wan, Qingyang Fan, Mingfei Wei, Jie Wu, Dangli Gao, Yanxing Song, Sining Yun, Design and physical property study of seven novel carbon allotropes by Random methods combined group and Graph theories, Computational Materials Science 244,113179,2024.

70.Yuan Hu, Lili Liu, Shenghua Zhang, Xiuying Chen, Investigating the adsorption performance of CO, NO, NO2, NH3, and H2S molecules on C9N4 through DFT for potential gas sensor applications, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 689,133716,2024.