Evidence for enormous iodide anion migration in lanthanum oxyiodide–based solid

Imanaka, Nobuhito; Misran, Muhammad Radzi Iqbal Bin; Nunotani, Naoyoshi

doi:10.1126/sciadv.abh0812

Cited by 8 publications

(6 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Recently, there has been a surge of interest in various anion conductors. [1,2] In particular, oxide-ion (O 2− ) conductors are attracting widespread attention because of their usage in energy applications, such as solid oxide fuel cells (SOFCs). [3][4][5][6][7][8][9] The conventionally used yttria stabilized zirconia (YSZ) electrolytes in SOFCs have the limitation of high working temperature (700-1000 °C), which restricts their widespread applications.…”

Section: Introductionmentioning

confidence: 99%

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

Yaguchi

Morikawa

Tsuda

et al. 2023

Adv Funct Materials

View full text Add to dashboard Cite

Oxide-ion conductors are gaining attention as future materials in energy applications, such as solid oxide fuel cells. Many Bi-containing compounds exhibit high oxide-ion conductivity via conventional vacancy mechanism. However, interstitial oxide-ion conduction is rare in Bi-containing materials. Herein, high oxide-ion conductivity is reported through interstitial oxygen sites in Sillén oxychlorides, LaBi 2−x Te x O 4+x/2 Cl (Bi 2 LaO 4 Cl-based oxychlorides). Oxide-ion conductivity of LaBi 1.9 Te 0.1 O 4.05 Cl is 20 mS cm −1 at 702 °C, and higher than best oxide-ion conductors as Bi 2 V 0.9 Cu 0.1 O 5.35 below 201 °C. Despite of the presence of Bi and Te species, LaBi 1.9 Te 0.1 O 4.05 Cl shows extremely high chemical and electrical stability at 400 °C from oxygen partial pressure 10 −25 to 0.2 atm and high chemical stability under CO 2 flow, wet 5% H 2 in N 2 flow, and air with natural humidity. Neutron scattering length density analysis, DFT calculations, and ab initio molecular dynamics simulations indicate that the extremely high oxide-ion conduction is attributed to cooperative diffusion through interstitial oxygen sites (interstitialcy diffusion mechanism) in triple fluorite-like layers. The present findings demonstrate the ability of LaBi 2−x Te x O 4+x/2 Cl as superior oxide-ion conductors, which can open new horizons for oxide-ion conductors.

show abstract

Section: Introductionmentioning

confidence: 99%

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

Yaguchi

Morikawa

Tsuda

et al. 2023

Adv Funct Materials

View full text Add to dashboard Cite

show abstract

“…Last year Imanaka et al. showed evidence for enormous iodide anion migration in lanthanum oxyiodide‐based solids [10] . The most recent work reports the synthesis of LaOI nanocrystals by a non‐hydrolytic sol‐gel condensation reaction and their transformation into LaOBr, LaOCl, and LaOF nanocrystals using post‐synthetic metathesis reactions with ammonium halides [11] …”

Section: Introductionmentioning

confidence: 99%

“…[9] Last year Imanaka et al showed evidence for enormous iodide anion migration in lanthanum oxyiodide-based solids. [10] The most recent work reports the synthesis of LaOI nanocrystals by a non-hydrolytic sol-gel condensation reaction and their transformation into LaOBr, LaOCl, and LaOF nanocrystals using post-synthetic metathesis reactions with ammonium halides. [11] Considering this rich potential of applications for rare earth oxyhalides, the question arises, whether other modifications might exist, possibly as metastable compounds, in the system LaOI.…”

Section: Introductionmentioning

confidence: 99%

Structure prediction via global energy landscape exploration of the ternary rare‐earth compound LaOI

Pejić

Zagorac

et al. 2022

Zeitschrift anorg allge chemie

View full text Add to dashboard Cite

Crystal structure prediction has been performed via the global exploration of the energy landscape of lanthanum oxyiodide (LaOI), using simulated annealing and involving over one million local optimizations. Afterwards, the most promising structure candidates among the minima found were subjected to local optimizations on ab initio level. Density functional theory (DFT) calculations were performed, using the GGA‐PBE functional, together with the hybrid HSE06 exchange‐correlation functional. Seven most relevant low‐energy minima were found after the final ab initio relaxation. The global minimum found corresponds to the α‐LaOI tetragonal structure in agreement with previous experimental and theoretical reports. The prediction of the additional β‐, γ‐, δ‐, ϵ‐, ζ‐, and η‐LaOI modifications demonstrate the rich diversity of local cation‐anion coordinations and structure types ranging from cubic and tetragonal, over rhombohedral and orthorhombic to monoclinic symmetry. Moreover, there are many previous experimental reports on related structures in the lanthanide oxyfluorides, which might guide possible future syntheses of LaOI‐modifications. A successful synthesis of these novel LaOI materials could have multiple technological applications ranging from nano‐ and bio‐materials to medicine, solid oxide fuel cells and photocatalytic materials.

show abstract

“…1b. This distance is much smaller than the diameter of I − (4.12 Å), 40 so g-C 3 N 4 can be used to hinder the transportation of I − . In the tri- s -triazine rings, as shown in Fig.…”

Section: Resultsmentioning

confidence: 96%

Realizing low-ion-migration and highly sensitive X-ray detection by building g-C₃N₄ and CH₃NH₃PbI₃ bulk heterojunction pellets

Xue,

Xiao,

Liu

et al. 2023

J. Mater. Chem. A

View full text Add to dashboard Cite

show abstract

Evidence for enormous iodide anion migration in lanthanum oxyiodide–based solid

Abstract: Iodide ion conduction was demonstrated and quantified.

Cited by 8 publications

References 43 publications

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

Structure prediction via global energy landscape exploration of the ternary rare‐earth compound LaOI

Realizing low-ion-migration and highly sensitive X-ray detection by building g-C₃N₄ and CH₃NH₃PbI₃ bulk heterojunction pellets

Contact Info

Product

Resources

About

Evidence for enormous iodide anion migration in lanthanum oxyiodide–based solid

Abstract: Iodide ion conduction was demonstrated and quantified.

Cited by 8 publications

References 43 publications

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides

Structure prediction via global energy landscape exploration of the ternary rare‐earth compound LaOI

Realizing low-ion-migration and highly sensitive X-ray detection by building g-C3N4 and CH3NH3PbI3 bulk heterojunction pellets

Contact Info

Product

Resources

About

Realizing low-ion-migration and highly sensitive X-ray detection by building g-C₃N₄ and CH₃NH₃PbI₃ bulk heterojunction pellets