Characterization – InstaNANO https://instanano.com Nanotechnology at Instant Sun, 03 Dec 2023 07:29:26 +0000 en-US hourly 1 https://wordpress.org/?v=6.6.2 https://instanano.com/wp-content/uploads/2022/04/cropped-Flaticon-32x32.png Characterization – InstaNANO https://instanano.com 32 32 SAED d value and XRD Peak Position calculator https://instanano.com/all/characterization/tem/saed-d-value/ https://instanano.com/all/characterization/tem/saed-d-value/#respond Fri, 23 Apr 2021 14:35:15 +0000 https://instanano.com/?p=331 This calculator can determine d value by using SAED (Selected Area Electron Diffraction) data in TEM (Transmission Electron Microscopy).

Distance Between Two Bright Spots (1/nm)

Results
(nm) d value
(2θ) XRD Peak Position

Calculation Tutorial:

STEP1: Take the raw image of Selected Area Electron Diffraction (SAED) from Transmission Electron Microscope (TEM)

STEP2: Now enter the distance (nm) between two bright spots into “Distance between 2 bright spots” column of the calculator. You should get the calculated result of d value in the field below.

NOTE: XRD peak position is calculated by taking Laser wavelength as 0.15418 and n value as 1. The distance is in reciprocal space. We have made the calculator such that if you measure the distance directly from 1/nm scale (as shown in image) it would give you the exact d value results.

Theory behind d value calculation:
Selected Area Electron Diffraction (SAED) is very important technique to determine the crystal structure of any material. It is a complementary technique in Transmission Electron Microscope (TEM), in which the Electrons are diffracted at a selected area and bright spots with dark background are observed as a result of this.

Distance between two bright spots (D) = 2 × Radius of that circle

The distance is in reciprocal space so we take inverse to convert it into real space

Thus, the formula for Interplanar spacing (d):

Interplanar spacing (d) = 2 / Distance between two bright spots

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Raman Spectroscopy Crystallite Size Calculator (Tuinstra Koenig Relation) https://instanano.com/all/characterization/raman/crystallite-size-2/ https://instanano.com/all/characterization/raman/crystallite-size-2/#comments Fri, 23 Apr 2021 14:04:24 +0000 https://instanano.com/?p=301 This calculator can easily determine crystallite size by using Raman spectrum via Tuinstra Koenig Relation.

Laser Wavelength (nm)

ID/IG Ratio

Results
nm

Calculation Tutorial:

STEP1: Open the Raman spectra of the material, which is obtained from the instrument and calculator ID by IG ratio.


STEP2:
 Now enter the Wavelength of Laser used during the Raman Characterization; also measured ID/IG Ratio (for example 0.9733) in “ID/IG Ratio (D/G Peak)” column of the calculator. You should get the calculated results of the d value in the “Results” field.

Theory Behind Calculations:

The above calculator is based on the “Tuinstra Koenig Relation” to calculate the crystallite size by using Raman Spectroscopy.

Tuinstra Koenig Relation:

Crystallite Size (La) = 2.4×10^-10 × [Wavelength of Laser (nm)]^4 / ID:IG Ratio

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FTIR Functional Group Database Table with Search https://instanano.com/all/characterization/ftir/ftir-functional-group-search/ https://instanano.com/all/characterization/ftir/ftir-functional-group-search/#comments Fri, 01 Oct 2021 13:41:03 +0000 https://instanano.com/?p=9843 Search by Peak Position (cm-1)

Search by Group

Search by Class

Min Max Peak Position Group Class Peak Details
3584 3700 3584-3700 O-H stretching alcohol medium, sharp
3200 3550 3200-3550 O-H stretching alcohol strong, broad
3450 3550 3500 N-H stretching primary amine medium
3300 3400 3300-3400 N-H stretching aliphatic primary amine medium
3310 3350 3310-3350 N-H stretching secondary amine medium
2500 3300 2500-3300 O-H stretching carboxylic acid strong, broad
2700 3200 2700-3200 O-H stretching alcohol weak, broad
2800 3000 2800-3000 N-H stretching amine salt strong, broad
3267 3333 3267-3333 C-H stretching alkyne strong, sharp
3000 3100 3000-3100 C-H stretching alkene medium
2840 3000 2840-3000 C-H stretching alkane medium
2695 2830 2695-2830 C-H stretching aldehyde medium
2550 2600 2550-2600 S-H stretching thiol weak
2299 2399 2349 O=C=O stretching carbon dioxide strong
2225 2300 2250-2275 N=C=O stretching isocyanate strong, broad
2222 2260 2222-2260 C≡N stretching nitrile weak
2190 2260 2190-2260 C≡C stretching alkyne weak
2140 2175 2140-2175 S-C≡N stretching thiocyanate strong
2120 2160 2120-2160 N=N=N stretching azide strong
2100 2200 2150 C=C=O stretching ketene
2120 2145 2120-2145 N=C=N stretching carbodiimide strong
2100 2140 2100-2140 C≡C stretching alkyne weak
1990 2140 1990-2140 N=C=S stretching isothiocyanate strong
1900 2000 1900-2000 C=C=C stretching allene medium
1950 2050 2000 C=C=N stretching ketenimine
1650 2000 1650-2000 C-H bending aromatic compound weak
1768 1868 1818 C=O stretching anhydride strong
1785 1815 1785-1815 C=O stretching acid halide strong
1770 1800 1770-1800 C=O stretching conjugated acid halide strong
1725 1825 1775 C=O stretching conjugated anhydride strong
1770 1780 1770-1780 C=O stretching vinyl / phenyl ester strong
1710 1810 1760 C=O stretching carboxylic acid strong
1735 1750 1735-1750 C=O stretchin esters strong
1735 1750 1735-1750 C=O stretching δ-lactone strong
1700 1890 1745 C=O stretching cyclopentanone strong
1720 1740 1720-1740 C=O stretching aldehyde strong
1715 1730 1715-1730 C=O stretching α,β-unsaturated ester strong
1705 1725 1705-1725 C=O stretching aliphatic ketone strong
1706 1720 1706-1720 C=O stretching carboxylic acid strong
1680 1710 1680-1710 C=O stretching conjugated acid strong
1685 1710 1685-1710 C=O stretching conjugated aldehyde strong
1640 1740 1690 C=O stretching primary amide strong
1640 1690 1640-1690 C=N stretching imine / oxime strong
1666 1685 1666-1685 C=O stretching conjugated ketone strong
1630 1730 1680 C=O stretching secondary amide strong
1630 1730 1680 C=O stretching tertiary amide strong
1600 1700 1650 C=O stretching δ-lactam strong
1668 1678 1668-1678 C=C stretching alkene weak
1665 1675 1665-1675 C=C stretching alkene weak
1665 1675 1665-1675 C=C stretching alkene weak
1626 1662 1626-1662 C=C stretching alkene medium
1648 1658 1648-1658 C=C stretching alkene medium
1600 1650 1600-1650 C=C stretching conjugated alkene medium
1580 1650 1580-1650 N-H bending amine medium
1566 1650 1566-1650 C=C stretching cyclic alkene medium
1638 1648 1638-1648 C=C stretching alkene strong
1610 1620 1610-1620 C=C stretching α,β-unsaturated ketone strong
1500 1550 1500-1550 N-O stretching nitro compound strong
1435 1485 1465 C-H bending alkane medium
1400 1500 1450 C-H bending alkane medium
1380 1390 1380-1390 C-H bending aldehyde medium
1380-1385 C-H bending alkane medium
1395 1440 1395-1440 O-H bending carboxylic acid medium
1330 1420 1330-1420 O-H bending alcohol medium
1380 1415 1380-1415 S=O stretching sulfate strong
1380 1410 1380-1410 S=O stretching sulfonyl chloride strong
1000 1400 1000-1400 C-F stretching fluoro compound strong
1310 1390 1310-1390 O-H bending phenol medium
1335 1372 1335-1372 S=O stretching sulfonate strong
1335 1370 1335-1370 S=O stretching sulfonamide strong
1342 1350 1342-1350 S=O stretching sulfonic acid strong
1300 1350 1300-1350 S=O stretching sulfone strong
1266 1342 1266-1342 C-N stretching aromatic amine strong
1250 1310 1250-1310 C-O stretching aromatic ester strong
1200 1275 1200-1275 C-O stretching alkyl aryl ether strong
1020 1250 1020-1250 C-N stretching amine medium
1200 1225 1200-1225 C-O stretching vinyl ether strong
1163 1210 1163-1210 C-O stretching ester strong
1124 1205 1124-1205 C-O stretching tertiary alcohol strong
1085 1150 1085-1150 C-O stretching aliphatic ether strong
1087 1124 1087-1124 C-O stretching secondary alcohol strong
1050 1085 1050-1085 C-O stretching primary alcohol strong
1030 1070 1030-1070 S=O stretching sulfoxide strong
1040 1050 1040-1050 CO-O-CO stretching anhydride strong, broad
985 995 985-995 C=C bending alene strong
960 980 960-980 C=C bending alkene strong
885 895 885-895 C=C bending alkene strong
550 850 550-850 C-Cl stretching halo compound strong
790 840 790-840 C=C bending alkene medium
665 730 665-730 C=C bending aklene strong
515 690 515-690 C-Br stretching halo compound strong
500 600 500-600 C-I stretching halo compound strong
860 900 860-900 C-H bending 1,2,4-trisubstituted strong
860 900 860-900 C-H bending 1,3-disubstituted strong
790 830 790-830 C-H bending 1,4-disubstituted strong
790 830 790-830 C-H bending 1,2,3,4-tetrasubstituted strong
760 800 760-800 C-H bending 1,2,3-trisubstituted strong
735 775 735-775 C-H bending 1,2-disubstituted strong
730 770 730-770 C-H bending monosubstituted strong
680 720 680-720 benzene derivative



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XRD Crystallite (grain) Size Calculator (Scherrer Equation) https://instanano.com/all/characterization/xrd/crystallite-size/ https://instanano.com/all/characterization/xrd/crystallite-size/#comments Fri, 23 Apr 2021 14:30:50 +0000 https://instanano.com/?p=327 This Calculator can determine crystallite or grain size by using XRD graph. Peak position and FWHM values are needed

Calculation Tutorial:

STEP1: Open the XRD graph of the material, which is obtained from the instrument.

STEP2: Now zoom on the area for which you want to calculate the crystallite size and note down the angle at which peak is shown and peak Full Width at Half Maximum (FWHM).

STEP3: Now enter the measured Peak Position (i.e. 31.8) and peak FWHM (i.e. 0.5) in desire columns of the calculator. You should get the calculated results of the crystallite size in the “Calculated Result” field.

NOTE: Default value of wavelength of LASER is set is 0.15418 (Cu K-alpha), which is mostly used in the instruments.

Theory Behind Calculations:
X-Rays are having wavelength between 0.01nm to 10nm. Hence X-Rays can penetrate inside the crystal structure of any material very easily; and tells us the properties of material while coming out from that material. Which is why X-Ray spectroscopy is very useful technique for characterization of different types of materials. We can easily calculate the size of particles from Scherrer formula given:

Scherrer Formula:

Dp = (0.94 Χ λ) / (β Χ Cosθ)

Where, Dp = Average Crystallite size, β = Line broadening in radians, θ = Bragg angle, λ = X-Ray wavelength

What is FWHM?
what is fwhm

NOTE: Please don’t worry about the β(in radians), All the calculations are made such that you can enter β (i.e. Full Width at Half Maximum) value directly in degree as shown in “Calculation Tutorial”

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XRD d value Calculator https://instanano.com/all/characterization/xrd/d-value/ https://instanano.com/all/characterization/xrd/d-value/#comments Fri, 23 Apr 2021 14:38:14 +0000 https://instanano.com/?p=335 This calculator can be used to calculate d value by using the peak position (two theta), order of reflection and x-ray wavelength.

Peak Position (2θ)

X-Ray Wavelength

Order of Reflection (n)

Results
nm

Calculation Tutorial:

STEP1: Open the XRD graph of the material, which is obtained from the instrument.

STEP2: Now zoom on the area for which you want to calculate the d value and note down the angle at which peak is shown.

STEP3: Now enter the measured Peak Position (i.e. 31.8 degree) in “Peak Position (2 Theta)” column of the calculator. You should get the calculated results of the d value in the “Calculated Result” field.

NOTE: Default value of wavelength of LASER is set is 0.15418, which is mostly used in the instruments; and Order of Reflection is 1. You can also change these values as your desire if you want.

Theory Behind Calculations:
X-Rays are having wavelength between 0.01nm to 10nm. Hence X-Rays can penetrate inside the crystal structure of any material very easily; and tells us the properties of material while coming out from that material. Which is why X-Ray spectroscopy is very useful technique for characterization of different types of materials.

Bragg’s Law:

Order of Reflection (n) × Wavelength (λ) = 2 × Interplanar spacing (d) × Sinθ

So, Interplanar spacing can be calculated easily from the formula as:

Interplanar spacing (d) = Order of Reflection (n) × Wavelength (λ) / 2 × Sinθ

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Percent Crystallinity Calculator form XRD (X-Ray Diffraction) https://instanano.com/all/characterization/xrd/percent-crystallinity/ https://instanano.com/all/characterization/xrd/percent-crystallinity/#respond Fri, 23 Apr 2021 12:43:46 +0000 https://instanano.com/?p=271 This calculator can easily determine percent crystallinity by using reference method or amorphous crystalline area method.
Method1: More Accurate Method

Total Area of Unknown Crystalinity Sample

Total Area of Known Crystalinity Sample

Percent Crystalinity of Known Sample

Results
%

 

If your want our expert team to calculate Percent Crystallinity for you: Click Here

Calculation Tutorial:

Method1: In this method, you need to take 2 samples. First sample which crystalinity need to be calculated i.e. unknown sample. Second sample should be the same material but with known crystalinity (you can buy known crystalinity sample). Now you need to perform the XRD for both unknown and known sample with same parameters.

STEP1: Enter the total area of sample which crystalinity need to be calculated i.e. unknown crystalinity sample (Area can be obtained from Originlab or any other analysis software).

STEP2: Enter the total area of known crystalinity sample.

STEP3: Enter the percent crystalinity of the known sample.

Method 2 This method is less accurate. In this you need to take the area of crystalline peaks (usually sharp and high intensity peaks) by leaving the amorphous peaks (usually broad and low intensity peaks).

STEP1: Enter the area of all crystaline peaks.

STEP2: Enter the total area of full two theta range.

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Concentration Calculation From UV Vis Absorbance https://instanano.com/all/characterization/uv-vis/concentration/ https://instanano.com/all/characterization/uv-vis/concentration/#comments Fri, 23 Apr 2021 14:26:26 +0000 https://instanano.com/?p=322 This calculator can be used to determine the concentration of any sample by using absorbance and molar absorptivity values.

Absorbance (a.u.)

Molar Absorptivity (L/mmol.cm)

Cell Length (cm)

Results
mmol/L

For Molar Absorptivity Calculator: Click Here…

Calculation Tutorial:

STEP1:Open the absorbance graph of the solution, which is obtained from the UV Vis spectroscopy.

STEP2: Now zoom on the peak for which you want to calculate the concentration and note down the Absorbance value.

STEP3: Now enter the measured absorbance value (eg. 0.84) into the “Absorbance of Solution” column of the calculator; also enter the value of “Molar Absorptivity” (eg. 19400) of that material from the literature survey and “Solution Cell Length” (eg. 1 cm) in the next columns. You should get the calculated results of the band gap in the “Calculated Result” field.

NOTE: For accuracy you can make a solution for known concentration and enter the values of “Absorbance of Solution”, “Solution Cell Length” and “Known Concentration of Solution” in the given columns. You should get the value of “Molar Absorptivity” from the calculator.

Theory Behind Calculations:
Calculations are based on the Beer’s Lambert law given by:

A = ε l c

Where A = Absorbance of solution at a particular wavelength; ε = Molar Absorptivity; l = Length of Solution Cell; and c = Concentration of Solution (mol/dm3)

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Graphene Number of Layers Calculator From ID/IG and I2D/IG Ratio via Raman Spectroscopy https://instanano.com/all/characterization/raman/graphene-layers/ https://instanano.com/all/characterization/raman/graphene-layers/#comments Fri, 23 Apr 2021 14:22:41 +0000 https://instanano.com/?p=318 Number of layers in graphene can easily be determined by using this calculator. You need intensity values of G, D and 2D band.

Number of Layers Calculator from ID/IG Ratio

G Band Intensity

D Band Intensity

Results
ID/IG Ratio
Number of Layers

Number of Layers Calculator from I2D/IG Ratio

G Band Intensity

2D Band Intensity

Results
I2D/IG Ratio
Number of Layers

THEORY BEHIND CALCULATIONS:

Raman Spectroscopy is the best technique for the qualitative analysis of the Graphene.
Single, Double, Few & Multi Layer Graphene can be determined by the: Peak Position, Peak Intensity and Peak Broadening of the Raman Spectra. Ideal Raman Spectra for Graphene is given below:

raman of single layer graphene
raman of double layer graphene
raman of few layer graphene
raman of multi layer graphene

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ppm Calculator https://instanano.com/all/characterization/other/ppm/ https://instanano.com/all/characterization/other/ppm/#respond Fri, 23 Apr 2021 14:19:06 +0000 https://instanano.com/?p=314 This calculator can determine the ppm or percent of any solution by using mass of solute and mass of solvent values.

Mass of solute (mg)

Mass of solvent (mg)

Results
ppm
%

THEORY BEHIND CALCULATIONS:

FOR METHOD1: Calculations are based on the following relation:

C(ppm) = 1000000 × msolute / (msolvent + msolute)

Where msolute = Mass of solute, msolvent = Mass of solvent

FOR METHOD2/3: Calculations are based on the following relation:

x(ppm) = 10000 ⋅ x(%)

Where x(ppm) = Chemical concentration in ppm, x(%) = Percent of chemical.

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Quantum Yield Calculator From Photoluminescence (PL) and UV-Vis Absorption https://instanano.com/all/characterization/pl/quantum-yield/ https://instanano.com/all/characterization/pl/quantum-yield/#comments Fri, 23 Apr 2021 13:28:44 +0000 https://instanano.com/?p=279 This calculator can determine quantum yield of an unknown sample form photoluminescence and UV-Vis data via reference sample.

Data of Standard/Reference

Quantum Efficiency

PL: Area Under Peak

UV Absorption

Refractive Index of Solvent

Data of Sample

PL: Area Under Peak

UV Absorption

Refractive Index of Solvent

Results (Quantum Yield)

%

Theory Behind Calculations:

The above calculator is based on following relation:
QY-sample = (QY-std * Abs-std * PL-sample * RefrativeIndex-sample^2) / (Abs-sample * PL-std * RefrativeIndex-std^2)

Note: UV-Vis absorption must be less than 0.1 (Intensity a.u.) to minimize the resorption of photons.

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