Experimental evidence of polarization effects on exchangeable cations trapped in zeolites

被引：14

作者：

Giuntini, JC ^{[1
]}

Maurin, G ^{[1
]}

Devautour, S ^{[1
]}

Henn, F ^{[1
]}

Zanchetta, JV ^{[1
]}

机构：

[1] Univ Montpellier 2, Lab Physicochim Mat Condensee, Equipe Chim Phys, F-34095 Montpellier 5, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 11期

关键词：

D O I：

10.1063/1.1308050

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The evolution of the activation energy of the conductivity depends on the nature of the exchanged cations, and differs in faujasites X and Y. This surprising phenomenon, reported in many works, is not yet satisfactorily explained. A qualitative explanation is proposed based on well-known results obtained in the study of the interactions between chemical species, by means of density functional theory. (C) 2000 American Institute of Physics. [S0021- 9606(00)70335-7].

引用

收藏

页码：4498 / 4500

页数：3

相关论文

共 16 条

[1] Application of the electronegativity equalization method to the interpretation of TSDC results:: Case of a mordenite exchanged by Na+ and Li+ cations [J].

Devautour, S ;

Giuntini, JC ;

Henn, F ;

Douillard, JM ;

Zanchetta, JV ;

Vanderschueren, J .

JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (16) :3275-3281

[2] Dielectric relaxation to assess surface properties of aluminosilicates [J].

Giuntini, JC ;

Devautour, S ;

Henn, F ;

Douillard, JM ;

Zanchetta, JV ;

Vanderschueren, J .

COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 1998, 1 (09) :577-586

[3] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

[4] COMPARISON OF CLUSTER AND INFINITE CRYSTAL CALCULATIONS ON ZEOLITES WITH THE ELECTRONEGATIVITY EQUALIZATION METHOD (EEM) [J].

JANSSENS, GOA ;

BAEKELANDT, BG ;

TOUFAR, H ;

MORTIER, WJ ;

SCHOONHEYDT, RA .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (10) :3251-3258

[5] Electrical properties of zeolitic catalysts [J].

Kalogeras, IM ;

Vassilikou-Dova, A .

DEFECT AND DIFFUSION FORUM, 1998, 164 :1-36

[6] Molecular mobility in microporous architectures: Conductivity and dielectric relaxation phenomena in natural and synthetic zeolites [J].

Kalogeras, JM ;

VassilikouDova, A .

CRYSTAL RESEARCH AND TECHNOLOGY, 1996, 31 (06) :693-726

[7] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

PHYSICAL REVIEW, 1965, 140 (4A) :1133-&

[8]

MORTIER WJ, 1987, STRUCT BOND, V66, P125

[9] ELECTRONEGATIVITY EQUALIZATION METHOD FOR THE CALCULATION OF ATOMIC CHARGES IN MOLECULES [J].

MORTIER, WJ ;

GHOSH, SK ;

SHANKAR, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (15) :4315-4320

[10] A STUDY OF ELECTRONEGATIVITY EQUALIZATION [J].

NALEWAJSKI, RF .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (13) :2831-2837