Details
| Original language | English |
|---|---|
| Article number | 6512 |
| Journal | Nature Communications |
| Volume | 14 |
| Issue number | 1 |
| Publication status | Published - 16 Oct 2023 |
Abstract
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the introduction of disorder into materials provides structural flexibility and thus access to material properties that are not attainable in conventional, ordered materials. To understand disorder-property relationships, the disorder – i.e., the local ordering principles – must be quantified. Local order can be probed experimentally by diffuse scattering. The analysis is notoriously difficult, especially if only powder samples are available. Here, we combine the advantages of three-dimensional electron diffraction – a method that allows single crystal diffraction measurements on sub-micron sized crystals – and three-dimensional difference pair distribution function analysis (3D-ΔPDF) to address this problem. In this work, we compare the 3D-ΔPDF from electron diffraction data with those obtained from neutron and x-ray experiments of yttria-stabilized zirconia (Zr 0.82Y 0.18O 1.91) and demonstrate the reliability of the proposed approach.
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In: Nature Communications, Vol. 14, No. 1, 6512, 16.10.2023.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction
AU - Schmidt, Ella Mara
AU - Klar, Paul Benjamin
AU - Krysiak, Yaşar
AU - Svora, Petr
AU - Goodwin, Andrew L.
AU - Palatinus, Lukas
N1 - Publisher Copyright: © 2023, Springer Nature Limited.
PY - 2023/10/16
Y1 - 2023/10/16
N2 - Structure-property relationships in ordered materials have long been a core principle in materials design. However, the introduction of disorder into materials provides structural flexibility and thus access to material properties that are not attainable in conventional, ordered materials. To understand disorder-property relationships, the disorder – i.e., the local ordering principles – must be quantified. Local order can be probed experimentally by diffuse scattering. The analysis is notoriously difficult, especially if only powder samples are available. Here, we combine the advantages of three-dimensional electron diffraction – a method that allows single crystal diffraction measurements on sub-micron sized crystals – and three-dimensional difference pair distribution function analysis (3D-ΔPDF) to address this problem. In this work, we compare the 3D-ΔPDF from electron diffraction data with those obtained from neutron and x-ray experiments of yttria-stabilized zirconia (Zr 0.82Y 0.18O 1.91) and demonstrate the reliability of the proposed approach.
AB - Structure-property relationships in ordered materials have long been a core principle in materials design. However, the introduction of disorder into materials provides structural flexibility and thus access to material properties that are not attainable in conventional, ordered materials. To understand disorder-property relationships, the disorder – i.e., the local ordering principles – must be quantified. Local order can be probed experimentally by diffuse scattering. The analysis is notoriously difficult, especially if only powder samples are available. Here, we combine the advantages of three-dimensional electron diffraction – a method that allows single crystal diffraction measurements on sub-micron sized crystals – and three-dimensional difference pair distribution function analysis (3D-ΔPDF) to address this problem. In this work, we compare the 3D-ΔPDF from electron diffraction data with those obtained from neutron and x-ray experiments of yttria-stabilized zirconia (Zr 0.82Y 0.18O 1.91) and demonstrate the reliability of the proposed approach.
UR - http://www.scopus.com/inward/record.url?scp=85174286392&partnerID=8YFLogxK
U2 - 10.1038/s41467-023-41934-y
DO - 10.1038/s41467-023-41934-y
M3 - Article
C2 - 37845256
VL - 14
JO - Nature Communications
JF - Nature Communications
SN - 2041-1723
IS - 1
M1 - 6512
ER -