Data · dataset · 2026
Melting Point Depression and Glass-Forming Abilities in Pb- and Sn-Based Hybrid Perovskites with a Nonprimary Ammonium Cation
Listed in ZivaHub and Deakin Research Online and DMU Figshare — shown once because both records carry DOI 10.1021/acs.chemmater.6c01289.s001
Two-dimensional organic–inorganic perovskites can attain lower congruent melting temperatures (<i>T</i><sub><i>m</i></sub>) through compositional design, including, for example, by incorporating nonprimary ammonium cations, enabling solvent-free melt processing and glass formation.
Description
Although Pb- and Sn-based systems have been explored, the structural and mechanistic origins of their distinct thermal behaviors remain poorly understood.
Here, starting from the model (MC3I)<sub>2</sub>PbI<sub>4</sub> (MC3I = <i>N</i>-methyliodopropylammonium), we demonstrate that replacing Pb with Sn lowers <i>T</i><sub><i>m</i></sub> to 86.0 °C (359.2 K) and markedly modulates glass-forming ability. Temperature-dependent single-crystal X-ray diffraction, pair distribution function, and first-principles electron localization functions provide continuous structural insights from 100 K to the molten state, enabling direct comparison across the melting transition and correlation with thermal behavior.
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We demonstrate that Sn substitution yields larger structural distortions (e.g., associated with increased lone-pair stereoactivity), selectively elongated and more ionic Sn–I bonds, reduced tolerance for atomic thermal vibrations, and more accessible atomic arrangements in the melt, resulting in a higher melting entropy (Δ<i>S</i><sub><i>m</i></sub>) and lower <i>T</i><sub><i>m</i></sub>. Both Pb and Sn compounds exhibit robust melt stability over 50 crystal-melt-glass cycles without discernible decomposition, while showing increased glass-forming propensity.
Prolonged melt dwelling effectively promotes vitrification in the Sn compound, despite its relatively lower glass-forming ability relative to the Pb-based system.
Links
Where it is published
- DOI doi.org/10.1021/acs.chemmater.6c01289.s001 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
Provenance · 3 source records, 20 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/34033696 | 10 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/34033696 | 10 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/34033696 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].anzsrc:group:3103 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Ecology'] |
| concepts[field].anzsrc:group:3103 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Ecology'] |
| concepts[field].anzsrc:group:3103 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Ecology'] |
| concepts[field].anzsrc:group:3104 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Evolutionary Biology'] |
| concepts[field].anzsrc:group:3104 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Evolutionary Biology'] |
| concepts[field].anzsrc:group:3104 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Evolutionary Biology'] |
| concepts[field].local:field:chemistry | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| description | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/description |
| license | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/rights |
| publication_date | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |