RG2

Crystal-space traveler

近100所高校500多人使用RG2从事晶体结构预测相关研究，发表学术论文70余篇：

1.      Lei Wang, Yongpeng Shi, Mingfeng Liu, Ao Zhang, Yi-Lun Hong, Ronghan Li, Qiang Gao, Mingxing Chen, Wencai Re, Hui-Ming Cheng, Yiyi Li, Xing-Qiu Chen, Intercalated architecture of MA₂Z₄ family layered van der Waals materials with emerging topological, magnetic and superconducting properties, Nature Communication,12,2361,2021.

2.      Xuejuan Yang, Aigen Li, C. Y. He Rainer Glaser, Deuterated Polycyclic Aromatic Hydrocarbons in the Interstellar Medium: The C–D Band Strengths of Multideuterated Species, APJS, 255,23,2021.

3.      Qing-Yang Fan, Nan Wu, Shuai-Ming Chen, Li Jiang, Wei Zhang, Xin-Hai Yu and Si-Ning Yun , P2₁3 BN: a novel large-cell boron nitride polymorph, Communications in Theoretical Physics,73,125701,2021. 

4.      Mohammed Al-Fahdi, Tao Ouyang and Ming Hu, High-throughput computation of novel ternary B–C–N structures and carbon allotropes with electronic-level insights into superhard materials from machine learning, Journal of Materials Chemistry A, 48, 27596, 2021.

5.      Jing Liu and Haigang Lu, Azugraphene: a new graphene-like hexagonal carbon allotrope with Dirac cones, RSC Advances, 9, 34481,2019.

6.      Qun Wei, Rui Zhang, Bing Wei, Wen Tong, Ruike Yang, Haiyan Yan, Meiguang Zhang, Mingwei Hu, Xuanmin Zhu & Ronghui Yao, A new large-cell superhard carbon allotrope: orthorhombic oC240,  Molecular Physics, 118, e1767815,2020. 

7.      Mohammed Al-Fahdi, Alejandro Rodriguez,Tao Ouyang, Ming Hu, High-Throughput Computation of New Carbon Allotropes with Diverse Hybridization and Ultrahigh Hardness, Crystals , 11, 783,2021.

8.      Qun Wei, Hui Yuana, WenTong, Meiguang Zhang, Three new orthorhombic superhard metallic carbon allotropes, Diamond and Related Materials,121,108731,2022.

9.      Qingyang Fan, Ruida Zhao, Li Jiang, Wei Zhang, Yanxing Song,Sining Yun, Ima2 C₃₂: An orthorhombic carbon allotrope with direct band gap, Diamond and Related Materials,120,108602,2021.

10.  Qingyang Fan, Heng Liu,Li Jiang, Xinhai Yu, Wei Zhang, Sining Yun, Two orthorhombic superhard carbon allotropes: C16 and C24, Diamond and Related Materials,116,108426,2021.

11.  Heng Liu, Qingyang Fan, Li Jiang, Wei Zhang, Yanxing Song, Xinhai Yu, Sining Yun, Designing a sp³ structure of carbon T-C9: First-principles calculations, Results in Physics, 19, 103690, 2020.

12.  Mengjiang Xing, Xiaozhen Li, A porous nanotube network structure of metallic carbon, Results in Physics, 28,104579,2021.

13.  Qingyang Fan, Heng Liu, Runling Yang, Xinhai Yu, Wei Zhang, Sining Yun, An orthorhombic superhard carbon allotrope: Pmma C24, Journal of Solid State Chemistry,300,122260,2021.

14.  Xinhai Yu, Riguge Su, Bei He, A novel BN polymorph with ductile manner, Journal of Solid State Chemistry, 306,122794,2021.

15.  Yalan Zhou, Zhenyu Liu, Li-Hua Gan, o-C₁₂: A novel orthorhombic metallic superhard carbon phase, Solid State Sciences, 119, 106607, 2021.

16.  Yalan Zhou, Xiang Chen, Song-Li Liu, Li-Hua Gan, Three tetragonal superhard sp³ carbon allotropes, Solid state communications, 323, 114095, 2021.

17.  Rui Tan, Zehou Li, Pan Zhou, Zhengchun Zou, Wenqi Li, Lizhong Sun, Dirac Semimetals in Homogeneous Holey Carbon Nitride Monolayers, Journal of physical chemistry C, 125, 6082-6089, 2021.

18.  Mingqing Liao, Fengjiang Wang, Jingchuan Zhu, Zhonghong Lai, Yong Liu, P222₁-C8: A novel carbon allotrope denser than diamond, Scripta Materialia, 212,114549,2022.

19.  Wei Zhang, Changchun Chai, Qingyang Fan, Yanxing Song and Yintang Yang, Superhard three-dimensional carbon with one-dimensional conducting channels, New Jouranl of Chemistry, 44,19789-19795,2020.

20.  D.Guo, C.Li, K.Li, B.Shao, D.Chen, Y.Ma, J.Sun, X.Cao, W.Zeng, X.Chang, The thermoelectric performance of new structure SnSe studied by quotient graph and deep learning potential, Materials Today Energy, 20,100665,2021.

21.  Junru Kou, Yalan Zhou, Peng Luo, Li-Hua Gan, sp³-Hybridized superhard trigonal carbon allotropes: A first principle study, Computational Materials Science, 190,110269,2021.

22.  Mengjiang Xing, Xiaozhen Li, Designing sp³ networks of two novel carbon allotropes in the P4/mmm phase, Chinese Journal of Physics,75, 90-103, 2022.

23.  Qingyang Fan, Heng Liu, Li Jiang, Wei Zhang, Yanxing Song, Qun Wei, Xinhai Yu and Sining Yun, Three-dimensional metallic carbon allotropes with superhardness, Nanotechnology Reviews, 10,1266-1276,2021.

24.  Qingyang Fan, Nan Wu, Runling Yang, Wei Zhang, Xinhai Yu, and Sining Yun, All sp2 hybridization BN polymorphs with wide bandgap, Journal of Applied Physics,131,055703,2022.

25.  Adebayo A Adeleke, Adebayo O Adeniyi, Hu Tang, Huiyang Gou, Yansun Yao, o-C₂₄₀: a new sp³-dominated allotrope of carbon, Journal of Physics: Condensed Matter, 32, 395401, 2020.

26.  Quihui Yan, Zehou Li, Pan Zhou and Lizhong Sun, Nontrivial topological states in new two-dimensional CdAs, Journal of Physics: Condensed Matter, 33, 365701,2021.

27.  Junru Kou, Yalan Zhou, Kai-Lei Li, Li-Hua Gan, The stability, electronic, mechanical and thermal properties of three novel superhard carbon crystals, Computational Materials Science,182,109758,2020.

28.  Heng Liu, Qing-Yang Fan, Fang Yang, Xin-Hai Yu, Wei Zhang and Si-Ning Yun, tP40 carbon: A novel superhard carbon allotrope, Chinese Physics B,29,106102,2020.

29.  Yonghong Liu, Xiaozhen Li, Mengjiang Xing, Jianhui Jin, Novel BCN₂ and CN compounds in C2/m phase: First-principle calculations, Journal of Physics and Chemistry of Solids,158,110231,2021.

30.  Wei Zhang, Changchun Chai, Qingyang Fan, Yanxing Song and Yintang Yang, Penta-C₂₀: A Superhard Direct Band Gap Carbon Allotrope Composed of Carbon Pentagon, Materials, 13,1926,2020.

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

32.  Junqiu Zhang, Xingxing Dong, Shaogang Xu, Yipu Xia, Wingkin Ho, Hu Xu and Maohai Xie,Metal-phosphorus network on Pt(111), 2D Materials, 9, 045002, 2022.

33.  Qingyang Fan, Heng Liu, Yingbo Zhao, Xinhai Yu and Sining Yun, Three non-metallic carbon materials with comparable electrical conductivity to metals, Diamond & Related Materials,128,109203,2022.

34.  Qingyang Fan, Rui Zhao Runling Yang, WeiZhang, XinhaiYu and Sining Yun,Group IV element allotropes in the Fmmm phase: First-principles calculations, Computational Materials Science, 213, 111666, 2022.

35.  Yuzhong Hu, Qiuhui Yan, Pan Zhou*, Zehou Li, Chaoyu He* and Lizhong Sun, Nonsymmorphic P21/m-MoTe2: Novel 2D Topological Materials,  Phys. Status Solidi RRL, 2200188,2022.