Cargando…
Localized Soft Vibrational Modes and Coherent Structural Phase Transformations in Rutile TiO(2) Nanoparticles under Negative Pressure
[Image: see text] We study the effect of size on the vibrational modes and frequencies of nanoparticles, by applying a newly developed, robust, and efficient first-principles-based method that we present in outline. We focus on rutile TiO(2), a technologically important material whose bulk exhibits...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9335867/ https://www.ncbi.nlm.nih.gov/pubmed/35797495 http://dx.doi.org/10.1021/acs.nanolett.2c01939 |