Conduction mechanism in the low-temperature phase of KAlO2

Воронин, В. И.; Surkova, M. G.; Shekhtman, G. Sh.; Anurova, N. A.; Блатов, В. А.

doi:10.1134/s0020168510110130

Cited by 19 publications

(27 citation statements)

References 3 publications

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“…Our results confirmed recently published data (Voronin et al, 2010) for KAlO 2 at room temperature [Pbca, a = 5.4389 (1), b = 10.9235 (2), c = 15.4563 (2) Å ]. Between room temperature and 810 K the neutron diffraction patterns are similar and may be interpreted within the model of the lowtemperature phase.…”

Section: Methodssupporting

confidence: 92%

“…The three-dimensional framework in both KAlO 2 polymorphs is composed of corner-shared AlO 4 tetrahedra. Experimentally determined Al-O distances in the roomtemperature modification (Voronin et al, 2010) are close to the sum of the Al 3+ and O 2radii (Shannon, 1976), therefore, AlO 4 tetrahedra are almost regular. There are rather large voids of two types in the framework where two non-equivalent K + cations surrounded by eight O 2À anions are located.…”

Section: Introductionmentioning

confidence: 75%

“…Recently, Blatov et al (2006), Anurova et al (2008), Anurova & Blatov (2009) developed a new method of computer analysis of cation migration paths resting upon standard crystallographic data and the Voronoi-Dirichlet partition of the crystal space; this method was successfully tested with a large number of Li-containing compounds. Using the same approach, Voronin et al (2010) analyzed the migration paths of K + cations in the crystal lattice of the KAlO 2 low-temperature form and showed an essential anisotropy of the K + cation conductivity.…”

Section: Introductionmentioning

confidence: 99%

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The natural tiling approach to cation conductivity in KAlO₂ polymorphs

Воронин¹,

Shekhtman

Блатов

2012

Acta Crystallogr B Struct Sci

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A detailed analysis of correlations between structural features and cation conductivity is performed for KAlO(2) polymorphs in a wide temperature range of 300-1023 K. To explore the migration maps of K(+) cations we have used neutron diffraction data for low- and high-temperature KAlO(2) polymorphs and applied for the first time a novel algorithm based on the natural tiling concept and implemented it into the program package TOPOS. Five independent elementary channels for the K(+) cation migration have been revealed whose cross-sections were found to be essentially different in the low-temperature form, indicating a high anisotropy of the cation conductivity. During the transition to the cubic high-temperature phase all five channels become equivalent with sharply increased cross-sections that account for the jump-like increase of the cation conductivity and gives rise to its three-dimensional character.

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Section: Methodssupporting

confidence: 92%

Section: Introductionmentioning

confidence: 75%

Section: Introductionmentioning

confidence: 99%

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The natural tiling approach to cation conductivity in KAlO₂ polymorphs

Воронин¹,

Shekhtman

Блатов

2012

Acta Crystallogr B Struct Sci

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“…An ion is free to pass through an elementary channel if the sum of the radius of the ion ( r i ) and the average radius of the atoms that form the channel ( r a ) does not exceed the cross‐sectional channel radius R chan (min): r i + r a ≤ R chan (min). The possible polarization (deformation) of ions that pass through a channel is taken into account by a deformation coefficient, γ ia ≤ 1. The above condition then takes the form γ ia × ( r i + r a ) ≤ R chan (min) or R chan ≤ R chan (min).…”

Section: Voronoi–dirichlet Partition (Vdp) Analysis Of Migration Pathsmentioning

confidence: 99%

“…The value of γ ia depends on the nature of mobile cations and framework anions. For solid electrolytes containing lithium and oxygen, γ LiO was taken to be 0.9 . Slater radii were used to include bonds in all types of crystals and molecules, both ionic and covalent.…”

Section: Voronoi–dirichlet Partition (Vdp) Analysis Of Migration Pathsmentioning

confidence: 99%

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Shannon

Kabanova

Fischer

2019

Crystal Research and Technology

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Ion conductivity in minerals and compounds is associated with continuous migration paths and leads to negative total electronic polarizability deviations [ = (α obs −α calc )/α obs )] up to 13%. Such deviations can be related to continuous migration paths determined in an earlier Voronoi-Dirichlet Partition (VDP) analysis of fast-ion conductors, that is, compounds such as LiB 3 O 5 with 1D conductivity, Li 4 SiO 4 with 2D conductivity, and Li 2 SO 4 with 3D conductivity. Using the Voronoi-Dirichlet (VD) method in this study, the migration paths and the dimensionality of many more compounds with negative polarizability deviations are identified. Continuous migration paths are found for the confirmed Li-ion conductors LiFePO 4 and Li 3 VO 4 and for the potential Li-ion conductors LiGeBO 4 , CsLiB 6 O 10 , Li 2 Ti 3 O 7 , LiMn 0.8 Fe 0.17 PO 4 , Li 2 NaPO 4 , and LiNaSO 4 . Similarly, continuous migration paths are found for the confirmed

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Rapid Solid‐State Gas Sensing Realized via Fast K⁺ Transport Kinetics in Earth Abundant Rock‐Silicates

Khoshkalam,

Farzin,

Sjølin

et al. 2024

Adv Eng Mater

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Here we report on the discovery of a novel fast potassium super stoichiometric silicate, with fully earth‐abundant nominal chemical composition of K2+xMg1−x/2SiO4, which exhibits near superionic K+ conductivity, up to 5 × 10−5 S cm−1 at room temperature. Fast K+ conduction is attributed to a high Continuous Symmetry Measure value in K‐polyhedrons, coupled with a low packing ratio of Corner‐Sharing‐framework. This is the first time that such a high conductivity is measured by a rock‐silicate formed only by abundant metal ions. K2+xMg1−x/2SiO4 displays excellent stability under air and humidity, which renders it a very promising candidate for economical fabrication of electrochemical devices such as potentiometric gas sensors. We demonstrated this by fabricating a gas sensor for SO2 detection, as the first demonstration of type III potentiometric gas sensors using K+ conductors. At 500 °C and SO2 concentrations in the range of 0–10 ppm, the sensor exhibited high sensitivities (69–72 mV dec−1), robust signal output (220 mV for 2 ppm of SO2), fast response times (1–6 min), and excellent stability in ambient condition.

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Conduction mechanism in the low-temperature phase of KAlO2

Cited by 19 publications

References 3 publications

The natural tiling approach to cation conductivity in KAlO₂ polymorphs

The natural tiling approach to cation conductivity in KAlO₂ polymorphs

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Rapid Solid‐State Gas Sensing Realized via Fast K⁺ Transport Kinetics in Earth Abundant Rock‐Silicates

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Conduction mechanism in the low-temperature phase of KAlO2

Cited by 19 publications

References 3 publications

The natural tiling approach to cation conductivity in KAlO2 polymorphs

The natural tiling approach to cation conductivity in KAlO2 polymorphs

Empirical Electronic Polarizabilities: Deviations from the Additivity Rule. II. Structures Exhibiting Ion Conductivity

Rapid Solid‐State Gas Sensing Realized via Fast K+ Transport Kinetics in Earth Abundant Rock‐Silicates

Contact Info

Product

Resources

About

The natural tiling approach to cation conductivity in KAlO₂ polymorphs

The natural tiling approach to cation conductivity in KAlO₂ polymorphs

Rapid Solid‐State Gas Sensing Realized via Fast K⁺ Transport Kinetics in Earth Abundant Rock‐Silicates