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Gu, B.; Takahashi, Saburo*; Maekawa, Sadamichi
Physical Review B, 96(21), p.214423_1 - 214423_6, 2017/12
Times Cited Count：9 Percentile：42.46(Materials Science, Multidisciplinary)Herv
du Penhoat, M.-A.*; Kamol Ghose, K.*; Gaigeot, M.-P.*; Vuilleumier, R.*; Fujii, Kentaro; Yokoya, Akinari; Politis, M.-F.*
Physical Chemistry Chemical Physics, 17(48), p.32375 - 32383, 2015/12
Times Cited Count：8 Percentile：31.43(Chemistry, Physical)Chihara, Junzo*; Yamagiwa, Mitsuru
Progress of Theoretical Physics, 111(3), p.339 - 359, 2004/03
Times Cited Count：5 Percentile：37.27(Physics, Multidisciplinary)no abstracts in English
; Chihara, Junzo
Molecular Simulation, 16, p.31 - 46, 1996/00
Times Cited Count：4 Percentile：17.3(Chemistry, Physical)no abstracts in English
Chihara, Junzo; *
Molecular Simulation, 12(3-6), p.187 - 195, 1994/00
Times Cited Count：3 Percentile：14.83(Chemistry, Physical)no abstracts in English
; Suzuki, Kazuya
Spectrochimica Acta, Part A, 50(6), p.1057 - 1063, 1994/00
no abstracts in English
Journal of Physical Chemistry, 97(9), p.1832 - 1834, 1993/00
Times Cited Count：10 Percentile：41.3(Chemistry, Physical)no abstracts in English
Spectrochimica Acta, Part A, 49(1), p.81 - 94, 1993/00
no abstracts in English
Journal of Physical Chemistry, 96(14), p.5825 - 5829, 1992/00
Times Cited Count：2 Percentile：11.72(Chemistry, Physical)no abstracts in English
Journal of Chemical Physics, 78(3), p.1414 - 1419, 1983/00
Times Cited Count：6 Percentile：28.88(Chemistry, Physical)no abstracts in English
Sakuma, Hiroshi*; Tachi, Yukio; Yotsuji, Kenji; Kawamura, Katsuyuki*
no journal, ,
Clay minerals are good adsorbents of many toxic elements of molecules in natural environment, because of their large surface areas and their high affinity to organic and inorganic materials. The adsorption sites of ions and molecules on the basal planes can be estimated by experiments and computer simulations based on the simple surface structure. While the adsorption of ions and molecules on the edge planes of clay minerals is poorly understood due to the absence of established model of the edge structures. In this study, the edge structures of montmorillonite were examined by the first-principles calculations based on the density functional theory. The effect of isomorphous substitution, layer charge, and positions of interlayer cations was evaluated for four different edge planes by calculating the surface energy. The acidity constant of the edges were calculated by an empirical method. We will discuss possible adsorption sites of cations on these edges.
Gu, B.
no journal, ,
