التفاصيل البيبلوغرافية
العنوان: |
Modeling Heterogeneity in UO2 Nanoparticles Using X‐ray Absorption Spectroscopy. |
المؤلفون: |
Bang, Shinhyo, Russo, Dominic R., Knapp, Ashley D., Straub, Mark D., Smith, Kurt F., Booth, Corwin H., Minasian, Stefan G., Moreau, Liane M. |
المصدر: |
European Journal of Inorganic Chemistry; Mar2023, Vol. 26 Issue 7, p1-10, 10p |
مصطلحات موضوعية: |
X-ray absorption, X-ray spectroscopy, HETEROGENEITY, URANINITE, NANOPARTICLES, SMALL-angle X-ray scattering |
مستخلص: |
EXAFS provides the capability to interrogate nanoparticle (NP) structure in atomistic detail without relying on long‐range crystallinity. There is a limitation in that EXAFS provides averaged structural information, making it difficult to separate a small amount of heterogeneous structure from bulk. In this work, models were developed to extract surface‐specific information from conventional EXAFS measurements collected on UO2 NPs of varying size. Specifically, the surface terminating species of UO2 NPs was determined from comparison of coordination numbers with geometric models while the origin of static disorder was interrogated from user‐defined simulations. Results show that the degree of oxygenation on the NP surface does not significantly deviate from bulk surface and that static disorder is highly enhanced in NP surface layers but cannot be attributed to surface relaxation effects alone. The approach described herein has the potential to be adapted to a range of inorganic NP systems to interrogate surface structure. [ABSTRACT FROM AUTHOR] |
|
Copyright of European Journal of Inorganic Chemistry is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
قاعدة البيانات: |
Complementary Index |