ThuliumV1, Pascal, Corpus, bibRecord, 000F68

Electronic state of trivalent ionic conductors with Sc2(WO4)3-type structure

Identifieur interne : 000F68 ( Pascal/Corpus ); précédent : 000F67; suivant : 000F69

Electronic state of trivalent ionic conductors with Sc2(WO4)3-type structure

Auteurs : N. Imanaka ; S. Tamura ; G. Adachi ; Y. Kowada

Source :

Solid state ionics [ 0167-2738 ] ; 2000.

RBID : Pascal:00-0292368

Descripteurs français

Pascal (Inist)
- Etude théorique, Structure électronique, Conducteur ionique, Méthode Xalpha, Méthode orbitale moléculaire, Liaison chimique, Lutétium tungstate, Scandium tungstate, Aluminium tungstate, Ytterbium tungstate, Thulium Tungstate, Erbium tungstate, Yttrium tungstate, Composé ternaire, Energie activation, 7120P, 7115F, 6630H, Conductivité ionique.

English descriptors

KwdEn :
- Activation energy, Aluminium tungstates, Chemical bonds, Electronic structure, Erbium tungstates, Ionic conductivity, Ionic conductors, Lutetium tungstates, Molecular orbital method, Scandium tungstates, Ternary compounds, Theoretical study, Thulium Tungstates, Xalpha method, Ytterbium tungstates, Yttrium tungstates.

Abstract

The electronic state of M₂(WO₄)₃ trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M³⁺ ion and the surrounding oxide ions and the net charge of M³⁺, W⁶⁺, and O² ions were compared with the experimental ionic conductivity of M₂(WO₄)₃ crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M₂(WO₄)₃ crystals.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

A01	`01`	`1`		`@0 0167-2738`
A02	`01`			`@0 SSIOD3`
A03		`1`		`@0 Solid state ion.`
A05				`@2 130`
A06				`@2 3-4`
A08	`01`	`1`	`ENG`	`@1 Electronic state of trivalent ionic conductors with Sc₂(WO₄)₃-type structure`
A11	`01`	`1`		`@1 IMANAKA (N.)`
A11	`02`	`1`		`@1 TAMURA (S.)`
A11	`03`	`1`		`@1 ADACHI (G.)`
A11	`04`	`1`		`@1 KOWADA (Y.)`
A14	`01`			`@1 Department of Applied Chemistry, Faculty of Engineering, Osaka University, 2-1 Yamadaoka @2 Suita, Osaka 565-0871 @3 JPN @Z 1 aut. @Z 2 aut. @Z 3 aut.`
A14	`02`			`@1 Hyogo University of Teacher Education, 942-1 Yashirocho @2 Kato-gun, Hyogo 673-1494 @3 JPN @Z 4 aut.`
A20				`@1 179-182`
A21				`@1 2000`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 18305 @5 354000088712050010`
A44				`@0 0000 @1 © 2000 INIST-CNRS. All rights reserved.`
A45				`@0 8 ref.`
A47	`01`	`1`		`@0 00-0292368`
A60				`@1 P @3 LT`
A61				`@0 A`
A64	`01`	`1`		`@0 Solid state ionics`
A66	`01`			`@0 NLD`
C01	`01`		`ENG`	@0 The electronic state of M₂(WO₄)₃ trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M³⁺ ion and the surrounding oxide ions and the net charge of M³⁺, W⁶⁺, and O² ions were compared with the experimental ionic conductivity of M₂(WO₄)₃ crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M₂(WO₄)₃ crystals.
C02	`01`	`3`		`@0 001B70A20P`
C02	`02`	`3`		`@0 001B70A15`
C02	`03`	`3`		`@0 001B60F30H`
C03	`01`	`3`	`FRE`	`@0 Etude théorique @5 01`
C03	`01`	`3`	`ENG`	`@0 Theoretical study @5 01`
C03	`02`	`3`	`FRE`	`@0 Structure électronique @5 02`
C03	`02`	`3`	`ENG`	`@0 Electronic structure @5 02`
C03	`03`	`3`	`FRE`	`@0 Conducteur ionique @5 03`
C03	`03`	`3`	`ENG`	`@0 Ionic conductors @5 03`
C03	`04`	`X`	`FRE`	`@0 Méthode Xalpha @5 04`
C03	`04`	`X`	`ENG`	`@0 Xalpha method @5 04`
C03	`04`	`X`	`SPA`	`@0 Método Xalfa @5 04`
C03	`05`	`3`	`FRE`	`@0 Méthode orbitale moléculaire @5 05`
C03	`05`	`3`	`ENG`	`@0 Molecular orbital method @5 05`
C03	`06`	`3`	`FRE`	`@0 Liaison chimique @5 06`
C03	`06`	`3`	`ENG`	`@0 Chemical bonds @5 06`
C03	`07`	`3`	`FRE`	`@0 Lutétium tungstate @2 NK @5 07`
C03	`07`	`3`	`ENG`	`@0 Lutetium tungstates @2 NK @5 07`
C03	`08`	`3`	`FRE`	`@0 Scandium tungstate @2 NK @5 08`
C03	`08`	`3`	`ENG`	`@0 Scandium tungstates @2 NK @5 08`
C03	`09`	`3`	`FRE`	`@0 Aluminium tungstate @2 NK @5 09`
C03	`09`	`3`	`ENG`	`@0 Aluminium tungstates @2 NK @5 09`
C03	`10`	`3`	`FRE`	`@0 Ytterbium tungstate @2 NK @5 10`
C03	`10`	`3`	`ENG`	`@0 Ytterbium tungstates @2 NK @5 10`
C03	`11`	`3`	`FRE`	`@0 Thulium Tungstate @2 NC @2 NA @5 11`
C03	`11`	`3`	`ENG`	`@0 Thulium Tungstates @2 NC @2 NA @5 11`
C03	`12`	`3`	`FRE`	`@0 Erbium tungstate @2 NK @5 12`
C03	`12`	`3`	`ENG`	`@0 Erbium tungstates @2 NK @5 12`
C03	`13`	`3`	`FRE`	`@0 Yttrium tungstate @2 NK @5 13`
C03	`13`	`3`	`ENG`	`@0 Yttrium tungstates @2 NK @5 13`
C03	`14`	`3`	`FRE`	`@0 Composé ternaire @5 14`
C03	`14`	`3`	`ENG`	`@0 Ternary compounds @5 14`
C03	`15`	`3`	`FRE`	`@0 Energie activation @5 15`
C03	`15`	`3`	`ENG`	`@0 Activation energy @5 15`
C03	`16`	`3`	`FRE`	`@0 7120P @2 PAC @4 INC @5 56`
C03	`17`	`3`	`FRE`	`@0 7115F @2 PAC @4 INC @5 57`
C03	`18`	`3`	`FRE`	`@0 6630H @2 PAC @4 INC @5 58`
C03	`19`	`3`	`FRE`	`@0 Conductivité ionique @5 81`
C03	`19`	`3`	`ENG`	`@0 Ionic conductivity @5 81`
C07	`01`	`3`	`FRE`	`@0 Composé minéral @5 16`
C07	`01`	`3`	`ENG`	`@0 Inorganic compounds @5 16`
C07	`02`	`3`	`FRE`	`@0 Lanthanide composé @5 17`
C07	`02`	`3`	`ENG`	`@0 Rare earth compounds @5 17`
C07	`03`	`3`	`FRE`	`@0 Métal transition composé @5 18`
C07	`03`	`3`	`ENG`	`@0 Transition element compounds @5 18`
N21				`@1 199`

Format Inist (serveur)

NO :	PASCAL 00-0292368 INIST
ET :	Electronic state of trivalent ionic conductors with Sc₂(WO₄)₃-type structure
AU :	IMANAKA (N.); TAMURA (S.); ADACHI (G.); KOWADA (Y.)
AF :	Department of Applied Chemistry, Faculty of Engineering, Osaka University, 2-1 Yamadaoka/Suita, Osaka 565-0871/Japon (1 aut., 2 aut., 3 aut.); Hyogo University of Teacher Education, 942-1 Yashirocho/Kato-gun, Hyogo 673-1494/Japon (4 aut.)
DT :	Publication en série; Lettre à l'éditeur; Niveau analytique
SO :	Solid state ionics; ISSN 0167-2738; Coden SSIOD3; Pays-Bas; Da. 2000; Vol. 130; No. 3-4; Pp. 179-182; Bibl. 8 ref.
LA :	Anglais
EA :	The electronic state of M₂(WO₄)₃ trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M³⁺ ion and the surrounding oxide ions and the net charge of M³⁺, W⁶⁺, and O² ions were compared with the experimental ionic conductivity of M₂(WO₄)₃ crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M₂(WO₄)₃ crystals.
CC :	001B70A20P; 001B70A15; 001B60F30H
FD :	Etude théorique; Structure électronique; Conducteur ionique; Méthode Xalpha; Méthode orbitale moléculaire; Liaison chimique; Lutétium tungstate; Scandium tungstate; Aluminium tungstate; Ytterbium tungstate; Thulium Tungstate; Erbium tungstate; Yttrium tungstate; Composé ternaire; Energie activation; 7120P; 7115F; 6630H; Conductivité ionique
FG :	Composé minéral; Lanthanide composé; Métal transition composé
ED :	Theoretical study; Electronic structure; Ionic conductors; Xalpha method; Molecular orbital method; Chemical bonds; Lutetium tungstates; Scandium tungstates; Aluminium tungstates; Ytterbium tungstates; Thulium Tungstates; Erbium tungstates; Yttrium tungstates; Ternary compounds; Activation energy; Ionic conductivity
EG :	Inorganic compounds; Rare earth compounds; Transition element compounds
SD :	Método Xalfa
LO :	INIST-18305.354000088712050010
ID :	00-0292368

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Pascal:00-0292368

Le document en format XML

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<term>Ionic conductivity</term>
<term>Ionic conductors</term>
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<term>Ternary compounds</term>
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<term>Méthode orbitale moléculaire</term>
<term>Liaison chimique</term>
<term>Lutétium tungstate</term>
<term>Scandium tungstate</term>
<term>Aluminium tungstate</term>
<term>Ytterbium tungstate</term>
<term>Thulium Tungstate</term>
<term>Erbium tungstate</term>
<term>Yttrium tungstate</term>
<term>Composé ternaire</term>
<term>Energie activation</term>
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<front><div type="abstract" xml:lang="en">The electronic state of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M<sup>3+</sup>
 ion and the surrounding oxide ions and the net charge of M<sup>3+</sup>
, W<sup>6+</sup>
, and O<sup>2</sup>
 ions were compared with the experimental ionic conductivity of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals.</div>
</front>
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<fA11 i1="01" i2="1"><s1>IMANAKA (N.)</s1>
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<fA11 i1="03" i2="1"><s1>ADACHI (G.)</s1>
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<fA11 i1="04" i2="1"><s1>KOWADA (Y.)</s1>
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<fA14 i1="01"><s1>Department of Applied Chemistry, Faculty of Engineering, Osaka University, 2-1 Yamadaoka</s1>
<s2>Suita, Osaka 565-0871</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
</fA14>
<fA14 i1="02"><s1>Hyogo University of Teacher Education, 942-1 Yashirocho</s1>
<s2>Kato-gun, Hyogo 673-1494</s2>
<s3>JPN</s3>
<sZ>4 aut.</sZ>
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<fC01 i1="01" l="ENG"><s0>The electronic state of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M<sup>3+</sup>
 ion and the surrounding oxide ions and the net charge of M<sup>3+</sup>
, W<sup>6+</sup>
, and O<sup>2</sup>
 ions were compared with the experimental ionic conductivity of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals.</s0>
</fC01>
<fC02 i1="01" i2="3"><s0>001B70A20P</s0>
</fC02>
<fC02 i1="02" i2="3"><s0>001B70A15</s0>
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<s5>04</s5>
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<s5>04</s5>
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<s5>04</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE"><s0>Méthode orbitale moléculaire</s0>
<s5>05</s5>
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<fC03 i1="05" i2="3" l="ENG"><s0>Molecular orbital method</s0>
<s5>05</s5>
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<s5>06</s5>
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<s5>06</s5>
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<fC03 i1="07" i2="3" l="FRE"><s0>Lutétium tungstate</s0>
<s2>NK</s2>
<s5>07</s5>
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<fC03 i1="07" i2="3" l="ENG"><s0>Lutetium tungstates</s0>
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<s5>07</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Scandium tungstate</s0>
<s2>NK</s2>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Scandium tungstates</s0>
<s2>NK</s2>
<s5>08</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Aluminium tungstate</s0>
<s2>NK</s2>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Aluminium tungstates</s0>
<s2>NK</s2>
<s5>09</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE"><s0>Ytterbium tungstate</s0>
<s2>NK</s2>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG"><s0>Ytterbium tungstates</s0>
<s2>NK</s2>
<s5>10</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Thulium Tungstate</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Thulium Tungstates</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>11</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE"><s0>Erbium tungstate</s0>
<s2>NK</s2>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="3" l="ENG"><s0>Erbium tungstates</s0>
<s2>NK</s2>
<s5>12</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Yttrium tungstate</s0>
<s2>NK</s2>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Yttrium tungstates</s0>
<s2>NK</s2>
<s5>13</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE"><s0>Composé ternaire</s0>
<s5>14</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG"><s0>Ternary compounds</s0>
<s5>14</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE"><s0>Energie activation</s0>
<s5>15</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG"><s0>Activation energy</s0>
<s5>15</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE"><s0>7120P</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>56</s5>
</fC03>
<fC03 i1="17" i2="3" l="FRE"><s0>7115F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>57</s5>
</fC03>
<fC03 i1="18" i2="3" l="FRE"><s0>6630H</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>58</s5>
</fC03>
<fC03 i1="19" i2="3" l="FRE"><s0>Conductivité ionique</s0>
<s5>81</s5>
</fC03>
<fC03 i1="19" i2="3" l="ENG"><s0>Ionic conductivity</s0>
<s5>81</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE"><s0>Composé minéral</s0>
<s5>16</s5>
</fC07>
<fC07 i1="01" i2="3" l="ENG"><s0>Inorganic compounds</s0>
<s5>16</s5>
</fC07>
<fC07 i1="02" i2="3" l="FRE"><s0>Lanthanide composé</s0>
<s5>17</s5>
</fC07>
<fC07 i1="02" i2="3" l="ENG"><s0>Rare earth compounds</s0>
<s5>17</s5>
</fC07>
<fC07 i1="03" i2="3" l="FRE"><s0>Métal transition composé</s0>
<s5>18</s5>
</fC07>
<fC07 i1="03" i2="3" l="ENG"><s0>Transition element compounds</s0>
<s5>18</s5>
</fC07>
<fN21><s1>199</s1>
</fN21>
</pA>
</standard>
<server><NO>PASCAL 00-0292368 INIST</NO>
<ET>Electronic state of trivalent ionic conductors with Sc<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
-type structure</ET>
<AU>IMANAKA (N.); TAMURA (S.); ADACHI (G.); KOWADA (Y.)</AU>
<AF>Department of Applied Chemistry, Faculty of Engineering, Osaka University, 2-1 Yamadaoka/Suita, Osaka 565-0871/Japon (1 aut., 2 aut., 3 aut.); Hyogo University of Teacher Education, 942-1 Yashirocho/Kato-gun, Hyogo 673-1494/Japon (4 aut.)</AF>
<DT>Publication en série; Lettre à l'éditeur; Niveau analytique</DT>
<SO>Solid state ionics; ISSN 0167-2738; Coden SSIOD3; Pays-Bas; Da. 2000; Vol. 130; No. 3-4; Pp. 179-182; Bibl. 8 ref.</SO>
<LA>Anglais</LA>
<EA>The electronic state of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 trivalent ion conductors (M = Al, Sc, Lu, Yb, Tm, Er, Y) was calculated by the discrete-variational Xa molecular orbital (DV-Xa MO) method. The bond overlap populations between the M<sup>3+</sup>
 ion and the surrounding oxide ions and the net charge of M<sup>3+</sup>
, W<sup>6+</sup>
, and O<sup>2</sup>
 ions were compared with the experimental ionic conductivity of M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals. The variation of the activation energy of ionic conductivity agreed qualitatively with the change of the bond overlap population between the migrating trivalent ion and the surrounding oxide ions. This result suggests that the bonding state of the trivalent ions plays an important role in trivalent ion conduction in M<sub>2</sub>
(WO<sub>4</sub>
)<sub>3</sub>
 crystals.</EA>
<CC>001B70A20P; 001B70A15; 001B60F30H</CC>
<FD>Etude théorique; Structure électronique; Conducteur ionique; Méthode Xalpha; Méthode orbitale moléculaire; Liaison chimique; Lutétium tungstate; Scandium tungstate; Aluminium tungstate; Ytterbium tungstate; Thulium Tungstate; Erbium tungstate; Yttrium tungstate; Composé ternaire; Energie activation; 7120P; 7115F; 6630H; Conductivité ionique</FD>
<FG>Composé minéral; Lanthanide composé; Métal transition composé</FG>
<ED>Theoretical study; Electronic structure; Ionic conductors; Xalpha method; Molecular orbital method; Chemical bonds; Lutetium tungstates; Scandium tungstates; Aluminium tungstates; Ytterbium tungstates; Thulium Tungstates; Erbium tungstates; Yttrium tungstates; Ternary compounds; Activation energy; Ionic conductivity</ED>
<EG>Inorganic compounds; Rare earth compounds; Transition element compounds</EG>
<SD>Método Xalfa</SD>
<LO>INIST-18305.354000088712050010</LO>
<ID>00-0292368</ID>
</server>
</inist>
</record>

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Electronic state of trivalent ionic conductors with Sc2(WO4)3-type structure

Electronic state of trivalent ionic conductors with Sc2(WO4)3-type structure

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