Yin Li

3 Questions 12 Answers 0 Followers

Questions related from Yin Li

How large supercell should I build in order to calculate phonon?

Hi, Folks! I am going to use finite displacement (sometimes called finite difference if I am right) to calculate phonon of my crystal. As I read from some articles and online forums, we should...

28 January 2016 7,531 15 View

What does the appearance of 2G and D+G band in Raman spectra of multi-walled carbon nanotubes indicate?

Some of my received MWCNT showed 2G and D+G band in their Raman spectra? Is that normal? Or those MWCNT have already been damaged somehow?

27 May 2014 1,681 9 View

When the excitation spectrum is different from adsorption spectrum, whose maximum wavelength should be involved in stokes shift calculation?

My compound shows the maximum absorbance at around 260 nm. But the maximum intensity in excitation spectrum appears at 300 nm. The excitation spectrum has been corrected. I wonder which maximum...

07 November 2013 4,240 15 View