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Valence Electron Structure Analysis of Catalyst during Diamond Synthesis under HPHT
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Li LI1, 3, Bin XU2, 3, Jian-Hong GONG1, 3, Mu-Sen LI1, 3
Chinese Journal of High Pressure Physics | 2006, 20(4) : 372 - 378
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Chinese Journal of High Pressure Physics | 2006, 20(4): 372-378
Valence Electron Structure Analysis of Catalyst during Diamond Synthesis under HPHT
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Li LI1, 3, Bin XU2, 3, Jian-Hong GONG1, 3, Mu-Sen LI1, 3
Affiliations
  • 1.College of Materials Science & Engineering, Shandong University, Jinan 250061, China
  • 2.College of Materials Science & Engineering, Shandong Architecture University, Jinan 250101, China
  • 3.Shandong Engineering Research Center for Super Hard Materials, Zoucheng 273500, China
Published: 2006-12-05
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Experimental results showed that the Me3C (Me means Fe, Ni) pattern carbides produced by the action of catalyst and graphite are main carbon source to form diamond structure under high temperature and high pressure (HPHT). In this paper, based on the empirical electron theory of solids and molecules (EET), the valence electron structure (VES) and interface structure factors of diamond and various carbides are calculated, and the boundary condition of Thomas-Fermi-Dirac-Cheng (TFDC) is applied to the carbide/diamond interfaces. It is found that the electron density of crystal face in Me3C formed by C—C bonds is continuous with that of diamond at the first order of approximation, but the continuous intensity of different carbide is different. The VES of plane composed of C atoms in (FeNi)3C and Co3C are more similar to that of diamond, so the energy needed to transform their C—C bonds to diamond structure is lower. The catalyst action and catalysis mechanism are explained on the basis of VES concerning the carbides and diamond. This method may be a new way to investigate the mechanism concerning diamond formation.

diamond single crystal  /  carbide  /  HPHT  /  valence electron structure  /  interface  /  catalyst
李丽, 许斌, 宫建红, 李木森. 高温高压合成金刚石中触媒的价电子结构分析. 高压物理学报, 2006 , 20 (4) : 372 -378 .
Li LI, Bin XU, Jian-Hong GONG, Mu-Sen LI. Valence Electron Structure Analysis of Catalyst during Diamond Synthesis under HPHT[J]. Chinese Journal of High Pressure Physics, 2006 , 20 (4) : 372 -378 .
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Year 2006 volume 20 Issue 4
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Article Info
  • Receive Date：2006-06-21
  • Online Date：2026-11-01
  • Published：2006-12-05
Article Data
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History
  • Received：2006-06-21
  • Revised：2006-09-12
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Affiliations
    1.College of Materials Science & Engineering, Shandong University, Jinan 250061, China
    2.College of Materials Science & Engineering, Shandong Architecture University, Jinan 250101, China
    3.Shandong Engineering Research Center for Super Hard Materials, Zoucheng 273500, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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