Valance electron structure of carbide-diamond interface and catalytic mechanism for diamond synthesis under high-pressur

The metallic films surrounding a synthetic diamond formed under high-pressure and high-temperature (HPHT) in the presence of Fe-based and Ni-based catalysts were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). It was showed that the carbide was the primary carbon source for the nucleation and growth of diamond. Based on the EET (empirical electron theory in solid and molecules) theory, the valence electron structure of interface between carbide (Fe3C, Ni3C, (Fe, Ni)3C) and diamond was calculated using the bonding length difference (BLD) method. The boundary criterion of Thomas-Fermi-Dirac-Cheng (TFDC): "the electron density being equal on the contacting surfaces of atoms" was applied to analyze the valence structure of carbide-diamond interface. The result based on the calculation valance electron structure is in good accordance with the experimental result. This study is very helpful to reveal the catalytic mechanism of diamond nucleation and growth and design the new catalyst for diamond synthesis.

作 者： GONG Jianhong XU Bin YIN Longwei QI Yongxin LI Li SU Qingcai LI Musen   作者單位： GONG Jianhong,YIN Longwei,QI Yongxin,LI Li,SU Qingcai,LI Musen(School of Materials Science and Engineering, Shandong University, Jinan 250061, China;Shandong Engineering and Technology Research Center of Super-hard Materials, Zoucheng 273500, China)

XU Bin(Department of Materials Science and Engineering, Shandong Institute of Architecture and Technology, Jinan 250014, China) 

刊 名： 自然科學(xué)進(jìn)展（英文版）  SCI 英文刊名： PROGRESS IN NATURAL SCIENCE  年，卷(期)： 2006 16(8)  分類號(hào)： O6  關(guān)鍵詞： synthetic diamond   carbide   catalytic mechanism   valence electron theory   interface  

【Valance electron structure of carbid】相關(guān)文章：

匯報(bào)工作：clear and with structure04-25

Competition and monopoly of Chinese rural groundwater market structure and&04-26

Synthesis and Crystal Structure of Binuclear Copper(Ⅱ)Complex Containing (Dimethylaminomethyl)ferrocene04-27

A SAPO-11 Silicoaluminophosphate Molecular Sieve with Stable Crystal Structure04-27

Effects of Ca on the distribution,structure and morphology of aluminum species in polyaluminum chloride04-27

Effects of traffic pollution on the genetic structure of Poa annua L.populations04-26

Periodic Structure of Equatorial Envelope Rossby Wave Under Influence of Diabatic Heating04-27

Static Force Reliability Analysis of Truss Structure with Piezoelectric Patches Affixed to Its Surface04-26

Design of Neural Network Variable Structure Reentry Control System for Reusable Launch Vehicle04-26

Photosynthesis and Molecular Structure of 2-Amino-3H-phenoxazin-3-one04-27