zinc oxide: connecting theory and experiment
Clicks: 275
ID: 155205
2013
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This
article has not been analysed, so there is no overall score —
reader engagement is measured and shown alongside.
Reader Engagement
Popular Article
30.0
/100
275 views
44 readers
AI Quality Assessment
Not analyzed
Readership in this journal
PopularRanked #27 of 49 articles by views in preventive veterinary medicine
Most read
Least read
Bar heights use a square-root scale.
Mint this article as an NFT
Not yet mintedCreate a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.
5
SUSD
one-off · no wallet required
Abstract
Zinc oxide (ZnO) is a material with a great variety of industrial applications including high heat capacity,
thermal conductivity and temperature stability. Clearly, it would be of great importance to find new stable
and/or metastable modifications of zinc oxide, and investigate the influence of pressure and/or temperature
on these structures, and try to connect theoretical results to experimental observations. In order to reach this
goal, we performed several research studies, using modern theoretical methods. We have predicted possible
crystal structures for ZnO using simulated annealing (SA), followed by investigations of the barrier structure
using the threshold algorithm (TA). Finally, we have performed calculations using the prescribed path algorithm (PP), where connections between experimental structures on the energy landscape, and in particular
transition states, were investigated in detail. The results were in good agreement with previous theoretical and
experimental observations, where available, and we have found several additional (meta)stable modifications
at standard, elevated and negative pressures. Furthermore, we were able to gain new insight into synthesis
conditions for the various ZnO modifications and to connect our results to the actual synthesis and transformation routes.
| Reference Key |
zagorac2013processingzinc
Use this key to autocite in the manuscript while using
SciMatic Manuscript Manager or Thesis Manager
|
|---|---|
| Authors | ;Dejan Zagorac;Johann Christian Schön;Jelena Zagorac;Ilya Vladimirovich Pentin;Martin Jansen |
| Journal | preventive veterinary medicine |
| Year | 2013 |
| DOI |
10.2298/PAC1303111Z
|
| URL | |
| Keywords |
Citations
No citations found. To add a citation, contact the admin at info@scimatic.org
Comments
No comments yet. Be the first to comment on this article.