Quantum-Chemical Study of Mechanism of Growth of Nanometer-Tin-Particles

被引:0
|
作者
Kodiaa, Adnan [1 ]
机构
[1] Albaath Univ, Fac Sci, Dept Chem, Lab Programming Chem, POB 77, Homs, Syria
关键词
Quantum-Chemistry; Tin; Growth; Cluster; Mechanism; Nanometer;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Big clusters of Tin SnN (so called mesoscopic particles) containing hundreds of atoms with diameter up to 15 nm show that cohesion of mesoscopic particles results from local interactions between nearest neighbor atoms. Many body interactions play only a minor role. Using Semi-empirical calculation, we were able to build a growth models for Tin particles. The criteria for the best model is determined by structure of particles, localization of interactions and mainly the values of the binding energies and internuclear distances and their convergence to cluster particles of the bulk.
引用
收藏
页码:155 / 167
页数:13
相关论文
共 50 条
  • [41] Quantum-chemical study of alkyloxybenzenes hydrophobicity
    G. I. Kobzev
    M. O. Sagida
    A. N. Kazaeva
    Russian Journal of General Chemistry, 2013, 83 : 1318 - 1323
  • [42] Quantum-chemical study of alkyloxybenzenes hydrophobicity
    Kobzev, G. I.
    Sagida, M. O.
    Kazaeva, A. N.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2013, 83 (07) : 1318 - 1323
  • [43] Quantum-chemical study of anisole molecule
    Bhezovskii, VM
    Kapustin, EG
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2003, 73 (03) : 401 - 407
  • [44] QUANTUM-CHEMICAL STUDY OF MECHANISM OF NUCLEOPHILIC-ADDITION TO CARBONYL-COMPOUNDS
    BURSHTEIN, KY
    KHURGIN, YI
    BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1977, 26 (07): : 1373 - 1376
  • [45] Quantum-chemical study of the reaction mechanism of 1,3-dioxanes with acetonitrile
    Kuznetsov, VV
    RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, 2000, 36 (07) : 1067 - 1068
  • [46] A quantum-chemical study on the discharge reaction mechanism of lithium-sulfur batteries
    Wang, Lijiang
    Zhang, Tianran
    Yang, Siqi
    Cheng, Fangyi
    Liang, Jing
    Chen, Jun
    JOURNAL OF ENERGY CHEMISTRY, 2013, 22 (01) : 72 - 77
  • [47] A quantum-chemical study on the discharge reaction mechanism of lithium-sulfur batteries
    Lijiang Wang
    Tianran Zhang
    Siqi Yang
    Fangyi Cheng
    Jing Liang
    Jun Chen
    Journal of Energy Chemistry, 2013, (01) : 72 - 77
  • [48] A quantum-chemical study on the discharge reaction mechanism of lithium-sulfur batteries
    Lijiang Wang
    Tianran Zhang
    Siqi Yang
    Fangyi Cheng
    Jing Liang
    Jun Chen
    Journal of Energy Chemistry, 2013, 22 (01) : 72 - 77
  • [49] Mechanism of formation and monomolecular decomposition of aci-nitromethanes: a quantum-chemical study
    G. M. Khrapkovskii
    A. G. Shamov
    G. A. Shamov
    V. A. Shlyapochnikov
    Russian Chemical Bulletin, 2001, 50 : 952 - 957
  • [50] Mechanism of Direct Electrophilic Aromatic Amination: an Electrophile is Found by Quantum-Chemical Study
    Stankevich, Ksenia S.
    Bondarev, Alexander A.
    Lavrinenko, Anastasia K.
    Filimonov, Victor D.
    CHEMISTRYSELECT, 2019, 4 (10): : 2933 - 2940