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Questions related from Yin Li
Hi, folks! I recently used cp2k6.1 to simulate organic molecular crystal systems at a temperature of 100K in the NPT_F ensemble. After the system reached thermal equilibrium, the unit cell volume...
04 March 2025 181 0 View
Hi, folks! I am studying the hyperpolarizability of a crystal using DFT calculations. I learned that Gaussian code is able to do that with POLAR keyword in the input file. As Gaussian is not...
19 December 2024 3,699 3 View
Hi, Folks! I got some angle-dependent IR spectra of a crystal. I would like to make some DFT calculations to interpret these anistropic results. Accurate description of the direction of...
19 September 2023 5,597 2 View
Dear folks, I keep the ratio of count rate to excitation rate to be 1% in my TCSPC. I still found the measured lifetime is shorter than reported value. Is there any other factors that could cause...
24 February 2016 2,337 7 View
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 7,649 15 View
Hi, folks! I wanna measure the FT-IR spectra of some amino acids. I am going to prepare the plates made from the mixtures of amino acids crystals and KBr under 10 tons pressure. But I don't want...
17 December 2015 2,298 9 View
We all know that the inner filter effect has a significant influence on the fluorescence emission spectra. The high concentration results in lower emission intensity. I wonder whether this effect...
11 June 2015 6,256 9 View
I have a structural information (in Cartesian coordinate system) of a small molecule. According to the literature, one unit cell contains three molecules. I have set the parameters of the unit...
01 April 2015 6,943 11 View
I mixed HSA with a compound. I found that after addition of the compound, the absorptivity of tryptophan (HSA) decreases. What can be reflected by this phenomenon?
17 March 2015 7,255 6 View
My raw MWCNTs contain carbon nanoparticles as the first derivative of TGA curves show the presence of a wide shoulder (from 600 C till 700-760 C) on the right side of MWCNT (~600 C) combustion...
16 August 2014 8,626 17 View
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 1,743 9 View
I have measured the lifetimes of my compound at some emission wavelengths using single-photon counting technique and emission spectra. Is there any free fluorescence software or computer program...
27 May 2014 8,603 5 View
My carbon nanotubes contain some impurities such as amorphous carbon and residual catalyst. I heated my CNTs at 400 degree for several hours to remove amorphous carbon. But this operation can do...
03 April 2014 3,787 7 View
My fluorescence titration spectra show a blue shift in emission maximum of my compound during the quenching process. I guess there is an ultrafast ET process which is even faster than the...
08 February 2014 8,202 10 View
A blue shift of the emission peak of my compound upon the addition of quencher was observed. I guess there is an electron transfer between it and quencher. But I don't know how to explain this...
22 January 2014 2,602 17 View
AFM substrates such as Si wafer, mica and gold- which has the strongest adhesion force to carbon nanotubes? What is normally the appropriate force constant of cantilever for characterization of CNTs?
14 November 2013 211 16 View
I used an ultrasonic bath (30 kHz, 120 W) to disperse my carbon nano-tubes in SDS solution. The AFM image shows many small white areas. I am thinking on those white areas could be caused by...
08 November 2013 6,087 29 View
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 4,292 15 View
