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  • A predicted orthogonal semimetallic carbon with negative thermal expansion and compressibility
    文章来源:Phys. Chem. Chem. Phys. (2022) 作者:Zhen-Long Lv, Hong-Ling Cui and Cai Cheng
  • A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries
    文章来源:Phys. Chem. Chem. Phys. 24, 23737 (2022) 作者:Yue Kuai, Changcheng Chen, Elyas Abduryim, Shuli G
  • Actinide-doped boron clusters: from borophenes to borospherenes
    文章来源:Phys. Chem. Chem. Phys. 24, 29705 (2022) 作者:Nai-Xin Zhang, Cong-Zhi Wang,* Jian-Hui Lan, Qun-Y
  • Two-dimensional Be2Al and Be2Ga monolayer: anti-van’t Hoff/Le Bel planar hexacoordinate bonding and superconductivity
    文章来源:Phys. Chem. Chem. Phys. 25, 1105 (2022) 作者:Hai-xia Li, Meng-hui Wang, Quan Li and Zhong-hua C
  • Study on structures, electronic, spectral and thermodynamic properties of Lanthanide-doped boron-based MBn− (M=La, Ce, Pr; n=8, 9) clusters
    文章来源:J. Mol. Struct. 1256, 132566 (2022) 作者:Cheng-Gang Li, Ying-Qi Cui, Hao Tian, Jie Zhang, Z
  • Two-layer molecular rotors: A zinc dimer rotating over planarhypercoordinate motifs
    文章来源:J. Comput. Chem. 44, 240 (2022) 作者:Rui Yu, Gai-ru Yan, Yu-qian Liu and Zhong-hua Cui
  • Structure and Electronic Properties of Neutral and Anionic X‐Doped Medium‐Sized Mg16 (X = Co, Fe, Ni) Clusters
    文章来源:J. Clust. Sci. (2022) 作者:Hong Ming Jiang, Yan Fei Hu, Yu Quan Yuan, Qing Ya
  • Structures, and electronic and spectral properties of single-atom transition metal-doped boron clusters MB24- (M = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni)
    文章来源:RSC Adv. 12, 16706 (2022) 作者:Shi-Xiong Li, Yue-Ju Yang, De-Liang Chen and Zheng
  • A DFT prediction of two-dimensional MB3 (M = V, Nb, and Ta) monolayers as excellent anode materials for lithium-ion batteries
    文章来源:RSC Adv. 12, 28525 (2022) 作者:Jiahui Wang, Lina Bai, Xiangru Zhao, Hong Gao and
  • Metallic B2C3P Monolayer as Li-Ion Battery Materials: A First-Principles Study
    文章来源:Processes 10, 1809 (2022) 作者:Dawei Zhou, Zhuo Wang, Jinbing Cheng and Chunying
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