ELECTRONIC STATES OF SIO2-MXOY (MXOY=P2O5, TIO2 AND ZRO2) GLASSES

被引：0

作者：

KOWADA, Y

ADACHI, H

MINAMI, T

机构：

[1] KYOTO UNIV, FAC ENGN, DEPT MET, SAKYO KU, KYOTO 60601, JAPAN

[2] UNIV OSAKA PREFECTURE, DEPT APPL MAT SCI, SAKAI, OSAKA 593, JAPAN

来源：

NIPPON SERAMIKKUSU KYOKAI GAKUJUTSU RONBUNSHI-JOURNAL OF THE CERAMIC SOCIETY OF JAPAN | 1993年 / 101卷 / 12期

关键词：

ELECTRONIC STATES; PASSIVATION ABILITY; SIO2-P2O5; SIO2-TIO2; SIO2-ZRO2; MOLECULAR ORBITAL CALCULATION; DV-X-ALPHA CLUSTER METHOD; GLASS;

D O I：

暂无

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The electronic states of the SiO2-M(x)O(y) (M(x)O(y) = P2O5, TiO2 and ZrO2) glasses, which have good passivation ability, were calculated by the DV-Xalpha cluster method. The energy level structure of glasses containing the transition metal oxides, TiO2 and ZrO2, is different from that of pure SiO2 and SiO2-P2O5 glasses. The bond order between oxygen and sodium ion diffusing to the glass matrix in the systems SiO2-P2O5, SiO2-TiO2 and SiO2-ZrO2 is larger than that in SiO2 glass. Such a result is probably the origin of the passivation ability of these glasses.

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页码：1330 / 1334

页数：5

相关论文

共 17 条

[1] ELECTRONIC AND SPIN STATE OF HIGH-VALENT IRON-OXIDES STUDIED BY A DV-X-ALPHA CLUSTER METHOD [J].

ADACHI, H ;

TAKANO, M .

JOURNAL OF SOLID STATE CHEMISTRY, 1991, 93 (02) :556-566

[2] DISCRETE VARIATIONAL X-ALPHA CLUSTER CALCULATIONS .1. APPLICATION TO METAL CLUSTERS [J].

ADACHI, H ;

TSUKADA, M ;

SATOKO, C .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1978, 45 (03) :875-883

[3] CLUSTER MODEL INVESTIGATION OF THE ELECTRONIC STATE AND CHEMICAL-BOND IN CUPROUS AND CUPRIC OXIDE [J].

ADACHI, H ;

TAKANO, M .

PHYSICA C, 1989, 157 (01) :169-179

[4] Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules [J].

Baerends, E. J. ;

Ros, P. .

CHEMICAL PHYSICS, 1973, 2 (01) :52-59

[5] ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA [J].

BAERENDS, EJ ;

ROS, P .

MOLECULAR PHYSICS, 1975, 30 (06) :1735-1747

[6]

EZAKI H, 1992, TETSU TO HAGANE, V78, P1377

[7] COATING OF FLUORINE-DOPED ZRO2 FILMS ON STEEL SHEETS BY SOL-GEL METHOD [J].

IZUMI, K ;

TANAKA, H ;

MURAKAMI, M ;

DEGUCHI, T ;

MORITA, A ;

TOHGE, N ;

MINAMI, T .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1990, 121 (1-3) :344-347

[8] APPLICATION OF THE DV-X-ALPHA CLUSTER METHOD TO CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF SILICATE AND PHOSPHATE-GLASSES [J].

KOWADA, Y ;

ADACHI, H ;

TATSUMISAGO, M ;

MINAMI, T .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1992, 150 (1-3) :318-321

[9] WEATHERING RESISTANCE OF GLASS PLATES COATED WITH SOL-GEL DERIVED 9TIO2.91SIO2 FILMS [J].

MATSUDA, A ;

MATSUNO, Y ;

KATAYAMA, S ;

TSUNO, T .

JOURNAL OF MATERIALS SCIENCE LETTERS, 1989, 8 (08) :902-904

[10] Alkali passivation mechanism of Sol-Gel derived TiO2-SiO2 films coated on soda-lime-silica glass substrates [J].

Matsuda, Atsunori ;

Matsuno, Yoshihiro ;

Katayama, Shinya ;

Tsuno, Toshio ;

Tohge, Noboru ;

Minami, Tsutomu .

Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan, 1992, 100 (1165) :1094-1097