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CN 11-5639/O4
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Other articles related with "31.15.es":
28803 Xiaowei Jiang, Wan-Jian Yin
  Designing solar-cell absorber materials through computational high-throughput screening
    Chin. Phys. B   2020 Vol.29 (2): 28803-028803 [Abstract] (126) [HTML 1 KB] [PDF 4510 KB] (161)
103105 Yu-Sheng Wang, Min Jia, Qiao-Li Zhang, Xiao-Yan Song, Da-Peng Yang
  Ab initio investigation of excited state dual hydrogen bonding interactions and proton transfer mechanism for novel oxazoline compound
    Chin. Phys. B   2019 Vol.28 (10): 103105-103105 [Abstract] (44) [HTML 1 KB] [PDF 1632 KB] (33)
93102 Yuzhi Song, Songsong Liu, Jiajun Lu, Hui Zhang, Changzhe Zhang, Jun Du
  The substituent effect on the excited state intramolecular proton transfer of 3-hydroxychromone
    Chin. Phys. B   2019 Vol.28 (9): 93102-093102 [Abstract] (70) [HTML 1 KB] [PDF 3543 KB] (51)
128103 Kesong Yang
  High-throughput design of functional materials using materials genome approach
    Chin. Phys. B   2018 Vol.27 (12): 128103-128103 [Abstract] (159) [HTML 1 KB] [PDF 6240 KB] (379)
118105 Yu Tang, Decong Li, Zhong Chen, Shuping Deng, Luqi Sun, Wenting Liu, Lanxian Shen, Shukang Deng
  Excellent thermal stability and thermoelectric properties of Pnma-phase SnSe in middle temperature aerobic environment
    Chin. Phys. B   2018 Vol.27 (11): 118105-118105 [Abstract] (152) [HTML 1 KB] [PDF 2279 KB] (83)
97102 Baokun Lu, Chong-Yu Wang, Zhihui Du
  Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study
    Chin. Phys. B   2018 Vol.27 (9): 97102-097102 [Abstract] (160) [HTML 1 KB] [PDF 936 KB] (101)
77104 Baokun Lu, Chongyu Wang
  The effects of combining alloying elements on the elastic properties of γ-Ni in Ni-based superalloy: High-throughput first-principles calculations
    Chin. Phys. B   2018 Vol.27 (7): 77104-077104 [Abstract] (131) [HTML 1 KB] [PDF 1597 KB] (107)
53101 Ghasemi Hasan, Mokhtari Ali
  Using the HgxMg(1-x) Te ternary compound as a room temperature photodetector: The electronic structure, charge transport, and response function of the energetic electromagnetic radiation
    Chin. Phys. B   2018 Vol.27 (5): 53101-053101 [Abstract] (101) [HTML 1 KB] [PDF 699 KB] (132)
43103 Ping Guo, Yi-Long Qiu, Long-Long Li, Qiang Luo, Jian-Fei Zhao, Yi-Kun Pan
  Density functional theory study of structural stability for gas hydrate
    Chin. Phys. B   2018 Vol.27 (4): 43103-043103 [Abstract] (243) [HTML 1 KB] [PDF 1177 KB] (254)
23103 Shuang Liu, Yan-Zhen Ma, Yun-Fan Yang, Song-Song Liu, Yong-Qing Li, Yu-Zhi Song
  Excited state intramolecular proton transfer mechanism of o-hydroxynaphthyl phenanthroimidazole
    Chin. Phys. B   2018 Vol.27 (2): 23103-023103 [Abstract] (120) [HTML 1 KB] [PDF 1144 KB] (133)
103103 Lu-Ting Huang, Zheng Chen, Yong-Xin Wang, Yan-Li Lu
  First principle study of edge topological defect-modulated electronic and magnetic properties in zigzag graphene nanoribbons
    Chin. Phys. B   2017 Vol.26 (10): 103103-103103 [Abstract] (153) [HTML 1 KB] [PDF 1524 KB] (141)
93104 H F Gong, Y Yan, X S Zhang, W Lv, T Liu, Q S Ren
  Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study
    Chin. Phys. B   2017 Vol.26 (9): 93104-093104 [Abstract] (127) [HTML 0 KB] [PDF 1705 KB] (175)
93106 Minru Wen, Chong-Yu Wang
  Lattice stability and the effect of Co and Re on the ideal strength of Ni: First-principles study of uniaxial tensile deformation
    Chin. Phys. B   2017 Vol.26 (9): 93106-093106 [Abstract] (174) [HTML 1 KB] [PDF 655 KB] (197)
93107 Raheleh Pilevar Shahri, Arsalan Akhtar
  First principles study and comparison of vibrational and thermodynamic properties of XBi (X= In, Ga, B, Al)
    Chin. Phys. B   2017 Vol.26 (9): 93107-093107 [Abstract] (161) [HTML 0 KB] [PDF 2083 KB] (223)
97101 Kuan Shao, Han Han, Wei Zhang, Chang-Ying Wang, Yong-Liang Guo, Cui-Lan Ren, Ping Huai
  First-principles study of helium clustering at initial stage in ThO2
    Chin. Phys. B   2017 Vol.26 (9): 97101-097101 [Abstract] (178) [HTML 0 KB] [PDF 1674 KB] (186)
23103 Zong-Ling Ding, Zhao-Qi Sun, Jin Sun, Guang Li, Fan-Ming Meng, Ming-Zai Wu, Yong-Qing Ma, Long-Jiu Cheng, Xiao-Shuang Chen
  The inelastic electron tunneling spectroscopy of edge-modified graphene nanoribbon-based molecular devices
    Chin. Phys. B   2017 Vol.26 (2): 23103-023103 [Abstract] (121) [HTML 1 KB] [PDF 645 KB] (203)
107104 Meng-Li Huang, Chong-Yu Wang
  First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni3Al intermetallics
    Chin. Phys. B   2016 Vol.25 (10): 107104-107104 [Abstract] (146) [HTML 1 KB] [PDF 792 KB] (207)
53201 Yuechun Jiao, Jingkui Li, Limei Wang, Hao Zhang, Linjie Zhang, Jianming Zhao, Suotang Jia
  Laser frequency locking based on Rydberg electromagnetically induced transparency
    Chin. Phys. B   2016 Vol.25 (5): 53201-053201 [Abstract] (232) [HTML 1 KB] [PDF 1103 KB] (498)
23102 Yang Hang, Wen-Zhi Wu, Jin Yu, Wan-Lin Guo
  Tuning the energy gap of bilayer α -graphyne by applying strain and electric field
    Chin. Phys. B   2016 Vol.25 (2): 23102-023102 [Abstract] (223) [HTML 1 KB] [PDF 1305 KB] (323)
18208 Shi-Gang Ling, Jian Gao, Rui-Juan Xiao, Li-Quan Chen
  High-throughput theoretical design of lithium battery materials
    Chin. Phys. B   2016 Vol.25 (1): 18208-018208 [Abstract] (304) [HTML 1 KB] [PDF 2487 KB] (761)
33101 Ruan Wen, Xie An-Dong, Wu Dong-Lan, Luo Wen-Lang, Yu Xiao-Guang
  The geometry structures and electronic properties of LimBn (m+n=12) clusters
    Chin. Phys. B   2014 Vol.23 (3): 33101-033101 [Abstract] (138) [HTML 1 KB] [PDF 702 KB] (348)
34208 Huang Lu, Jin Jing, Shi Wei-Min, Yuan Zhi-Jun, Yang Wei-Guang, Cao Ze-Chun, Wang Lin-Jun, Zhou Jun, Lou Qi-Hong
  UV–visible spectral characterization and density functional theory simulation analysis on laser-induced crystallization of amorphous silicon thin films
    Chin. Phys. B   2014 Vol.23 (3): 34208-034208 [Abstract] (139) [HTML 1 KB] [PDF 624 KB] (347)
23102 Ruan Wen, Wu Dong-Lan, Luo Wen-Lang, Yu Xiao-Guang, Xie An-Dong
  Na decorated B6 cluster and its hydrogen storage properties
    Chin. Phys. B   2014 Vol.23 (2): 23102-023102 [Abstract] (187) [HTML 1 KB] [PDF 845 KB] (680)
103102 Zhang Chuan-Hui, Cui Hang, Shen Jiang
  The 13-atom encapsulated gold cage clusters
    Chin. Phys. B   2012 Vol.21 (10): 103102-103102 [Abstract] (633) [HTML 1 KB] [PDF 4036 KB] (525)
93102 Chi Fang-Ting, Li Peng, Xiong Jie, Hu Sheng, Gao Tao, Xia Xiu-Long, Wang Xiao-Lin
  Density functional study of uranyl (VI) amidoxime complexes
    Chin. Phys. B   2012 Vol.21 (9): 93102-093102 [Abstract] (723) [HTML 1 KB] [PDF 2907 KB] (975)
57901 Jin Lei,Fu Hong-Gang,Xie Ying,Yu Hai-Tao
  Field emission properties of capped carbon nanotubes doped by alkali metals:a theoretical investigation
    Chin. Phys. B   2012 Vol.21 (5): 57901-057901 [Abstract] (1067) [HTML 1 KB] [PDF 4413 KB] (600)
43102 Gu Jian-Bing,Yang Xiang-Dong,Wang Huai-Qian,Li Hui-Fang
  Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum: BnAl- (2≤n≤9)
    Chin. Phys. B   2012 Vol.21 (4): 43102-043102 [Abstract] (932) [HTML 1 KB] [PDF 306 KB] (854)
63102 Shi Shun-Ping, Zhang Quan, Zhang Li, Wang Rong, Zhu Zheng-He, Jiang Gang, Fu Yi-Bei
  Geometrical structures, vibrational frequencies, force constants and dissociation energies of isotopic water molecules (H2O, HDO, D2O, HTO, DTO, and T2O) under dipole electric field
    Chin. Phys. B   2011 Vol.20 (6): 63102-063102 [Abstract] (946) [HTML 0 KB] [PDF 243 KB] (1660)
43104 Ruan Wen, Xie An-Dong, Yu Xiao-Guang, Wu Dong-Lan
  Hydrogen storage capabilities of the most stable isomers of NanBm (m+n=6) clusters
    Chin. Phys. B   2011 Vol.20 (4): 43104-043104 [Abstract] (1061) [HTML 0 KB] [PDF 11551 KB] (1769)
23101 Liu Zhi-Feng, Lei Xue-Ling, Liu Li-Ren, Liu Huo-Yan, Zhu Heng-Jiang
  A density-functional theory for (BAs)n clusters (n=1–14): structures, stabilities and electronic properties
    Chin. Phys. B   2011 Vol.20 (2): 23101-023101 [Abstract] (919) [HTML 0 KB] [PDF 1655 KB] (1040)
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