ZHOU Yong, HONG Han-lie, BIAN Qiu-juan, WANG Xuan. Study on Relationship between Crystal Structure and Its Surface Chemical Stability of Diamond[J]. Journal of Gems & Gemmology, 2004, 6(4): 29-31.
Citation: ZHOU Yong, HONG Han-lie, BIAN Qiu-juan, WANG Xuan. Study on Relationship between Crystal Structure and Its Surface Chemical Stability of Diamond[J]. Journal of Gems & Gemmology, 2004, 6(4): 29-31.

Study on Relationship between Crystal Structure and Its Surface Chemical Stability of Diamond

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  • Received Date: October 26, 2004
  • Available Online: July 21, 2024
  • The surface chemical stability of diamond is investigated based on the density functional theories of quantum chemistry, by using B3LYP with the 6-311+G basis set. The molecular orbital populations and energies of the atoms on the diamond surfaces are calculated. The results show that colour, cleavage and hardness of diamond are depended closely on the surface structure.
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