Photo by kellysikkema from unsplash
In this work, we designed a simulation protocol to investigate the spectroscopic properties of point defects in sodalite minerals, Na8Si6Al6O24Cl2, using time-dependent density functional theory. T... Click to show full abstract
In this work, we designed a simulation protocol to investigate the spectroscopic properties of point defects in sodalite minerals, Na8Si6Al6O24Cl2, using time-dependent density functional theory. T...
Keywords:
defects sodalites;
modeling localized;
spectroscopic;
spectroscopic modeling;
sodalites dft;
localized defects
Journal Title: Journal of Physical Chemistry C
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!
Journal Title: Journal of Physical Chemistry C
Year Published: 2020
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!