I want to calculate the miller indices for Graphene nano material from available XRD data, any method or suggestion in this regard. Whether it is possible for Graphene or not?
Thanks with regards,
Sameer S. Gajghate
For a cubic system try the following formula
h^2/a^2+k^2/a^2+l^2/a^2=(1/d)^2
d=0.154/(2sin(theta))
Or for an orthorhombic system use the following formula
h^2/a^2+k^2/b^2+l^2/c^2=(1/d)^2
"a, b , c" are the unit cell size, theta is in radian.
You should look for integer numbers such as 0, 1, 2, ... for the miller indices (hkl) to satisfy the above mentioned formula.
e.g. Maghemite a= 0.833 nm and the system is cubic.
Fram the XRD pattern at theta=35.74 o =35.74*Pi/180 =0.624 radian
h^2+k^2+l^2=11.02~11
So, we can chose h=3, l=1, k=1 for miller indices.
Hello @ Sameer Sheshrao Gajghate
First you have to choose a stranded JCPDS data file which resembles with your sample and accordingly match the planes. Then with the FWHM values you will get the inter planer distance using the Scherrer’s method and then you can calculated the Miller indices. The detailed of the XRD analysis was given in the previous communications. You may have a look:
Arnab Mukherjee, Mrinal K. Adak, Anirban Chowdhury, Debasis Dhak, Synthesis of cost effective trimetallic oxide nano catalysts for the reduction of nitroarenes in presence of NaBH4 in aqueous medium, Current Catalysis, 2018, DOI: 10.2174/2211544708666181129100631.
Mrinal K. Adak, Asmita Sen, Arnab Mukherjee, Shrabanee Sen, Debasis Dhak, Removal of fluoride from drinking water using highly efficient nano-adsorbent, Al(III)-Fe(III)-La(III) trimetallic oxide prepared by chemical route, Journal of Alloys and Compounds 719 (2017) 460-469.
Ali Nematollahzadeh
Arnab Mukherjee
Thanks for suggestions, i will go through your literature.
Regards,
Sameer Gajghate
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