Catalytic Effect Analysis of Metallic Catalyst During Diamond Single Crystal Synthesis

doi:10.1007/s40195-013-0019-x

金属学报英文版 ›› 2014, Vol. 27 ›› Issue (1): 161-167.DOI: 10.1007/s40195-013-0019-x

收稿日期:2013-04-18 修回日期:2013-09-21 出版日期:2014-02-25 发布日期:2014-03-11

Catalytic Effect Analysis of Metallic Catalyst During Diamond Single Crystal Synthesis

Li Li(), Shibo Xing

School of Mechanical and Electrical Engineering, Hebei University of Engineering, Handan, 056038, China

Received:2013-04-18 Revised:2013-09-21 Online:2014-02-25 Published:2014-03-11

摘要/Abstract

Abstract:

By transition metals (Fe, Ni, Mn, Co) and their alloys as catalysts during the diamond synthesis, some transition phases will be formed, such as Fe₃C type carbides and γ solid solutions. Based on the empirical electron theory of the solid and molecules, the valence electron structures of different kinds of carbides and γ solid solutions and the relative electron density differences of various diamond/carbide and γ solid solution/carbide interfaces were calculated and analyzed in this paper. The electron structure conditions of the ideal catalyst were presented by analyzing the different catalytic effects of the catalysts, which provide a new theoretical path to the optimal design of the catalyst composition.

Key words: Diamond, Catalytic effect, Carbide, Electronic structure

. [J]. 金属学报英文版, 2014, 27(1): 161-167.

Li Li, Shibo Xing. Catalytic Effect Analysis of Metallic Catalyst During Diamond Single Crystal Synthesis[J]. Acta Metallurgica Sinica (English Letters), 2014, 27(1): 161-167.

图/表 7

Table 1 The VESs of carbide/diamond interfaces

Carbide	σ_N	σ	Δρ_min (%)
Fe₃C	444	206	0.0590
(Fe, Ni)₃C	410	216	0.0271
(Fe, Mn)₃C	413	139	0.1040
(Fe, Co)₃C	370	31	0.0390
Ni₃C	803	130	1.4792
(Ni, Mn)₃C	932	160	1.5163
(Ni, Fe)₃C	836	135	1.4352
(Ni, Co)₃C	782	116	1.4791
Mn₃C	562	231	0.0040
(Mn, Fe)₃C	524	326	0.0030
(Mn, Ni)₃C	415	186	0.0150
(Mn, Co)₃C	445	212	0.0020
Co₃C	417	258	0.0326
(Co, Fe)₃C	586	319	0.1101
(Co, Ni)₃C	479	273	0.0581
(Co, Mn)₃C	644	377	0.0431

Fig. 1 Crystal structure of Fe3C and (Fe, Ni)3C

Fig. 2 Distribution of atoms and bonds in γ-(Fe, Ni) cell

Fig. 3 The minimum electron density difference across γ-(Fe, Me)/Fe3C interface

Fig. 4 The minimum electron density difference across γ-(Ni, Me)/Ni3C interface

Fig. 5 The minimum electron density difference across γ-(Mn, Me)/Mn3C interface

Fig. 6 The minimum electron density difference across γ-(Co, Me)/Co3C interface

参考文献 20

[1]	J.E. Butler, Y.A. Mankelevich, A. Cheesman, J. Phys. Condens. Matter. 21, 364201(2009)10.1088/0953-8984/21/36/364201
[2]	H.Y. Xiao, D.M. Zhang, C.Y. Zang, J. Funct. Mater. 42, 670(2011)
[3]	Y.J. Zheng, Y.P. Ma, G.H. Zuo, J. Synth. Cryst. 39, 941(2010)
[4]	Y.N. Palyanov, I.N. Kupriyanov, Y.M. Borzdov, Cryst. Growth Des. 9, 2922(2009)10.1021/cg900265c
[5]	B. Xu, M.S. Li, L. Li, A.M. Xu, Y.C. Niu, Mater. Sci. Eng. A 454, 293(2007)10.1016/j.msea.2006.11.014
[6]	B. Xu, M.S. Li, J.J. Cui, J.H. Gong, Mater. Sci. Eng. A 396, 352(2005)10.1016/j.msea.2005.02.005
[7]	E. Pavel, G. Baluta, D. Barb, J. Mater. Sci. 6, 1645(1993)10.1007/BF00363361
[8]	L.W. Yin, M.S. Li, J.J. Cui, J. Cryst. Growth 234, 1(2002)10.1016/S0022-0248(01)01677-3
[9]	L. Li, B.S. Xing, Mater. Chem. Phys. 117, 276(2009)10.1016/j.matchemphys.2009.05.050
[10]	K.J. Cheng, Prog. Nat. Sci. 3, 221(1993)
[11]	R.H. Yu, Chin. Sci. Bull. 23, 217(1978)
[12]	C. Lin, G.L. Yin, Y.Q. Zhao, P. Ge, Z.L. Liu, Mater. Chem. Phys. 125, 411(2011)10.1016/j.matchemphys.2010.10.039
[13]	P.J. Li, Y.C. Ye, L.J. He, Chin. Sci. Bull. 54, 836(2009)10.1007/s11434-008-0514-z
[14]	X.B. Li, Y.Q. Xie, Y.Z. Nie, Phys. Rev. B 391, 249(2007)
[15]	X.J. Zhang, X.J. Zhang, K.W. Xu, J. Cryst Growth 290, 229(2006)10.1016/j.jcrysgro.2006.01.023
[16]	Z.L. Li, H.B. Xu, S.K. Gong, J. Phys. Chem. B 108, 15165(2004)10.1021/jp031364r
[17]	R.J. Lin,The Empirical Electron Theory of Solids and Molecules (Jilin Science and Technology Press, Changchun, 1993), pp. 133–139
[18]	S. Binder, W. Lengauer, P. Ettmayer, J. Alloys Compd. 217, 128(1995)10.1016/0925-8388(94)01314-8
[19]	F. Monteverde, A. Bellosi, Adv. Eng. Mater. 6, 331(2004)10.1002/adem.200400016
[20]	J.M. Qin, X.P. Jia, H.A. Ma, G.Z. Ren, X.C. Wang, C.Y. Zang, Diam. Abras. Eng. 6, 1(2004)

Catalytic Effect Analysis of Metallic Catalyst During Diamond Single Crystal Synthesis

RichHTML

可视化

摘要/Abstract

引用本文

使用本文

图/表 7

参考文献 20

相关文章 0

编辑推荐

Metrics

本文评价