A MULTIPLE-SCATTERING APPROACH TO THE STUDY OF X-RAY-ABSORPTION SPECTRA OF ANATASE AND RUTILE

被引：13

作者：

BOHR, F

RUIZLOPEZ, MF

MUNOZPAEZ, A

机构：

[1] UNIV NANCY 1,CHIM THEOR LAB,CNRS,UR 510,BP 239,F-54506 VANDOEUVRE NANCY,FRANCE

[2] UNIV SEVILLA,CSIC,DEPT QUIM INORGAN,E-41071 SEVILLE,SPAIN

[3] UNIV SEVILLA,CSIC,INST CIENCIA MAT,E-41071 SEVILLE,SPAIN

来源：

CATALYSIS LETTERS | 1993年 / 20卷 / 1-2期

关键词：

EXAFS; XANES; TIO2; MULTIPLE SCATTERING;

D O I：

10.1007/BF00772597

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：

Theoretical computations of the X-ray absorption spectra of the crystalline forms of TiO2, rutile and anatase, have been carried out in order to analyze the influence of multiple scattering contributions to the absorption coefficient. The cluster size used in the computations after making a detailed study of shell contributions, has been 75 atoms for rutile and 63 for anatase. This work has been envisaged as a suitable starting point to the analysis of experimental data for the more complicated TiO2 amorphous systems involved in catalytic processes.

引用

收藏

页码：59 / 71

页数：13

相关论文

共 36 条

[1] RECONCILIATION OF VALENCY AMBIGUITY IN V2TIO5 USING XANES SPECTROSCOPY [J].

ASBRINK, S ;

GREAVES, GN ;

HATTON, PD ;

GARG, K .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1986, 19 :331-335

[2] XANES AND EXAFS STUDY OF TITANIUM ALKOXIDES [J].

BABONNEAU, F ;

DOEUFF, S ;

LEAUSTIC, A ;

SANCHEZ, C ;

CARTIER, C ;

VERDAGUER, M .

INORGANIC CHEMISTRY, 1988, 27 (18) :3166-3172

[3] MULTIPLE-SCATTERING REGIME AND HIGHER-ORDER CORRELATIONS IN X-RAY-ABSORPTION SPECTRA OF LIQUID SOLUTIONS [J].

BENFATTO, M ;

NATOLI, CR ;

BIANCONI, A ;

GARCIA, J ;

MARCELLI, A ;

FANFONI, M ;

DAVOLI, I .

PHYSICAL REVIEW B, 1986, 34 (08) :5774-5781

[4] THEORY OF EXTENDED X-RAY ABSORPTION FINE-STRUCTURE - SINGLE AND MULTIPLE-SCATTERING FORMALISMS [J].

BOLAND, JJ ;

CRANE, SE ;

BALDESCHWIELER, JD .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (01) :142-153

[5]

Bragg L., 1965, CRYSTAL STRUCTURES M

[6] ELECTRON-ENERGY LOSS AND X-RAY ABSORPTION-SPECTROSCOPY OF RUTILE AND ANATASE - A TEST OF STRUCTURAL SENSITIVITY [J].

BRYDSON, R ;

SAUER, H ;

ENGEL, W ;

THOMAS, JM ;

ZEITLER, E ;

KOSUGI, N ;

KURODA, H .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (04) :797-812

[7]

CHOU SH, 1987, PHYS REV B, V35, P264

[8] MULTIPLE-SCATTERING EFFECTS IN EXAFS SPECTROSCOPY OF OXYGEN-BRIDGED IRON COMPLEXES - POSSIBILITY OF ANGLE DETERMINATION BY EXAFS ANALYSIS [J].

CO, MS ;

HENDRICKSON, WA ;

HODGSON, KO ;

DONIACH, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (05) :1144-1150

[9] SYSTEMATIC X-RAY ABSORPTION STUDY OF MOLYBDENUM COMPLEXES - ACCURACY OF STRUCTURAL INFORMATION FROM EXTENDED X-RAY ABSORPTION FINE-STRUCTURE [J].

CRAMER, SP ;

HODGSON, KO ;

STIEFEL, EI ;

NEWTON, WE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (09) :2748-2761

[10] STRUCTURES OF ALUMINA-SUPPORTED OSMIUM CLUSTERS (HOS3(CO)10(OAL)) AND COMPLEXES (OSII(CO)N=2OR3(OAL)3) DETERMINED BY EXTENDED X-RAY ABSORPTION FINE-STRUCTURE SPECTROSCOPY [J].

DUIVENVOORDEN, FBM ;

KONINGSBERGER, DC ;

UH, YS ;

GATES, BC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (20) :6254-6262

← 1 2 3 4 →