Formation of structured nanophases in halide crystals
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00398486" target="_blank" >RIV/68378271:_____/13:00398486 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1166/asem.2013.1332" target="_blank" >http://dx.doi.org/10.1166/asem.2013.1332</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1166/asem.2013.1332" target="_blank" >10.1166/asem.2013.1332</a>
Alternative languages
Result language
angličtina
Original language name
Formation of structured nanophases in halide crystals
Original language description
We examined the problem of impurity nucleation in a solid matrix on several alkali halide crystals. While the studied NaCl and KCl form simple ionic crystals, when impurities are introduced and the crystals subjected to heat treatment, complex aggregation phenomena do occur. In the theoretical part of the work, we tried to follow the aggregation of these impurities using computational modeling approach. We examined the possibilities and based the model on interionic potentials (IOPs) lattice modeling standing in the model hierarchy (and computational demands) between ab-initio approaches such as DFT models and classical nucleation theory. We determined formation energies for clusters, treated as defects, starting from single impurity-vacancy dipole andsmall aggregates to possible configurations of larger clusters. Experimentally, we studied the system using optical spectroscopy.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GAP108%2F12%2F0891" target="_blank" >GAP108/12/0891: Nucleation of diamond on strongly curved surfaces of PLGA-based nanofibers</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Advanced Science, Engineering and Medicine
ISSN
2164-6627
e-ISSN
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Volume of the periodical
5
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
5
Pages from-to
561-564
UT code for WoS article
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EID of the result in the Scopus database
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