What are the basic steps in determining the Raman Peak Positions for a new compound?

I need JCPDS file of LSFCO nanomaterial. Can anyone provide me?

Require for Rietveld refinement in XRD.

08 August 2024 3,081 2 View

How to understand this crystallographic phenomenon of low temperature crystals in zeolite?

During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...

06 August 2024 726 3 View

How to fix background error in rietveld refinement of one XRD peak using GSAS-II?

I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II

05 August 2024 5,291 2 View

Why might the impedance values for DI water and 0.1X PBS buffer solution exhibit a decreasing and increasing trend, respectively over time (HP 4194A)?

Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...

05 August 2024 3,783 2 View

How to calculate the molar proportions of the oxides from the XRF analyses?

02 August 2024 2,565 2 View

Hello, regarding Mxene 2D titanium carbide?

I fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.

02 August 2024 6,789 4 View

Mossbauer spectroscopy Co0.6Mn0.4Fe2O4 MNPs?

Following curve related to Co0.6Mn0.4Fe2O4 Magnetic nanoparticles with extra phase a-Fe2O3. I will appreciate to help me to interpretation this spectroscopy, especially the blue line.

31 July 2024 9,140 2 View

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

Why do some of my Raman spectra show no signal at lower Raman shifts?

I'm using a InVia Renishaw Raman microscope system (785nm wavelength, 600l/mm grating density) to acquire Raman images on human brain samples, at 50um resolution. The samples are placed on MgF2...

30 July 2024 8,771 3 View

How to calculate conductivity using Electrochemical Impedance Spectroscopy's Nyquist plot?

Hello everyone, I am new to this characterization but watching videos on youtube I have already plotted a Nyquist plot (Z' and -Z'') and already fitted models on my material using Zsim. But now I...

29 July 2024 1,376 0 View

Joseph S Merola

There are quite a few programs that can predict vibrational (and other) spectra if the structure is known. I have used Gaussian for that purpose but I know that there are many others.

John Clarkson

I used Gaussian to calculate vibrational specta for nitrobenzene:

https://www.researchgate.net/publication/222924220_A_DFT_analysis_of_the_vibrational_spectra_of_nitrobenzene

Article A DFT analysis of the vibrational spectra of nitrobenzene

Devendra Pareek

Thanks a lot. I think this will work for me.