Application of origin software to research infrared absorption spectrum data

In this paper, Origin is applyed to analyze samples and give some results about the fluorescence spectrum of SiO2-Al2O3 glass material, which is produced by Sol-Gel method.

Scientific Journal − No27/2018 73 APPLICATION OF ORIGIN SOFTWARE TO RESEARCH INFRARED ABSORPTION SPECTRUM DATA Ho Xuan Huy An Giang University Abstract: In studying materials science, the instruments used for measuring fabrication are: Micro-Raman oscillator, infrared absorption spectrum, absorption spectrum, fluorescence emission spectrum The received data from measurement systems is data files Researchers must process these empirical datas; and, show them through graphs to determine the structure and characteristic properties of the material Origin software is used to graph, process data, match functions, find errors, calculate quantities In this paper, Origin is applyed to analyze samples and give some results about the fluorescence spectrum of SiO2-Al2O3 glass material, which is produced by Sol-Gel method The result show that the infrared absorption spectra of samples with different composition were similar The characteris spectral peaks of silica glass and multicomponent one are represented through vibrating the groups such as Si-0-, Si-O-Si, AlO, Al-O-, Si-O-Al and the presence of the OH groups exists in the samples Keywords: Origin, infrared absorption, ion Er3+, ion Al3+ Email: hoxuanhuy69@gmail.com Received November 2018 Accepted for publication 15 December 2018 INTRODUCTION Materials science is an interdisciplinary field involving the properties of matter It is interested in electrical materials, electronic materials, nanomaterials, optical fiber materials The devices used for measuring fabrication are: Micro-Raman oscillator, infrared absorption spectrum, absorption spectrum, fluorescence emission spectrum The results allow for studying the lattice structure, basal energy levels and the energy levels in the ground state and the corresponding excited states of rare-earth ions During the implementation of scientific projects, researchers must process these empirical datas; and, show them through diagrams to determine the structure and characteristic properties of the material There are many softwares available in researching and teaching such as Origin, Matlab, Excel These software can process the statistical datas, show the empirical results by diagram, extract the report of analysis results Ha Noi Metroplolitan University 74 Matlab is a program for complex computation and result display, which is controlled by programmed scripts Variables created inside a function are only in the workspace of that function and are released when the one terminates so it is not possible to use the information of the previous time for the next time Excel is one of the most popular software for analyzing statistical data, analyzing results, calculating quantities according to formulas, demonstrating diagram results The disadvantage of Excel is that in each calculation, it is necessary to write mathematical formulas and data expressions that are limited to fonts when used for large units and the number of drawings is difficult to modify Origin software has spreadsheets like Excel so you can import data from Excel or Word tables by copy, paste; or you can import the digital data files of the measurement system with the Import command This software has the advantage that after importing data and selecting the quantities to be calculated, the software will automatically output the specified statistics, whereas if using Matlab or Excel we must write or program the calculational functions Application of Origin software to process the datas of aluminosilicate glass samples (Si02.Al2O3) measured by the Nexus 670 FT-IR infrared spectrophotometer RESEARCH METHODS 2.1 The Nexus 670 FT-IR infrared spectrophotometer [1] Figure Diagram principle infrared spectrometry system Fourier transform Fourier Transformation Infrared Spectrophotometer (FTIR), a fixed mirror, a moving mirror and a beam diffuser Infrared radiation passes out of the interferometer and passes Scientific Journal − No27/2018 75 through the detector The detector records the variation in the intensity of the radiation in the direction d that the moving mirror performs and then converts it into an electrical signal It receives the signal as a function of the voltage V in the distance, This is a function of the radiated intensity I in the inverse of the distance d (i.e., d-1) and d-1 is the wave number should be: V = f (d ) → I = f (d −1 ) The intensity of the radiation depends on the number of waves Because of computer use, the spectra are highly automated 2.2 Processed data from the Nexus 670 FT-IR Infrared Spectrophotometer with Origin Origin is a powerful and full featured data analysis software Powerful visualization tools with accompanying descriptive statistics to assist with hypothesis testing, model development and modeling, and data analysis [5] The main interface of Origin is the Menus bar, toolbars, active windows such as tables, graphs Figure 2 The main interface of Origin The Origin menu provides commands to perform operations during data processing In each submenu, the tags also change to correspond to each specific window: Analysis for the Worksheet window or Analysis for the Graph window The worksheet viewer uses data organizers and provides tools for using, analyzing, analyzing, and graphing data from worksheet data The columns in the worksheet are relative to each other by the axis specified as the X axis, the Y axis, and their location Ha Noi Metroplolitan University 76 The Graph window is where the graphs are displayed and edited Each graph window contains a single edit page You can annotate different objects such as axes, annotations, and drawing data Graphs in the Origin software include 2D graphs and some 3D graphs To create a graph we perform the following operations: select the file containing the data; select the data on the worksheet, in the menu bar appears Plot tab; Select Plot and choose plot style or Click on a graphic type icon on the drawing toolbar Origin handles data from the measurement system through the following steps: Figure Origin procedures for processing experimental data RESULTS AND DISCUSSION 3.1 Processing manipulation spectrophotometer on the Nexus 670 FT-IR infrared The sample was smoothed and blended well with KBr in powdered state 10-100 times, then compacted under pressure of ton/cm2 flat pellets The pellets were virtually transparent and the powders studied were dispersed evenly Infrared Spectrum Analyzer is used under the brand name Nexus 670 FT-IR, manufactured by Nicolet (USA), located at the Institute of Tropical Technology of the Vietnam Academy of Science and Technology The working spectrum of the device is from 400cm-1 to 4000cm-1 Scientific Journal − No27/2018 77 3.2 Analysis of infrared absorption spectra (FT-IR) 40 : S iO E r 3+ ( % w t) : S iO E r 3+ ( % w t) : S iO E r T=300K 3+ ( % w t) Transmittane (%) 30 805 20 1630 10 469 3442 1106 500 1000 1500 2000 2500 W a v e n u m b e r (c m 3000 -1 3500 4000 ) Figure Infrared absorption spectrum (FT-IR) of samples SiO2: Er3+ with different concentrations Structural information was determined by the vibrating of the formed links contained in the aluminosilicate glass matrix (SiO2.Al2O3) doped with Er3+, as recorded by infrared absorption spectrometry The spectral range is from 400 cm-1 to 4000 cm-1 Figure shows the infrared absorption spectrum of SiO2 samples 1% Er3+ (line 1), SiO2 3% Er3+ (line 2), SiO2 4% Er3+ (line 3) was heated at 1000°C for hour A spectrum that appears around the 3442 cm-1 range is believed to stretch the OH group in the sample The other bands are near the 469 cm-1, 805 cm-1, 1106 cm-1, 1630 cm1 wave numbers Peaks of 469 cm-1, 805 cm-1, 1106 cm-1 are thought to be vibrating of the Si-O-Si group, the peak at 1630 cm-1 due to the bending vibrations of the water molecules absorbed form These observations are similar to those published in the literature [3, 4] In addition, it can be seen that in these samples, the OH- group remains, as their characteristic vibrational group is near 3442 cm-1 In Figure 5, the infrared absorption spectra of SiO2, SiO2.Er3+ (1%wt), 99.33SiO2.0.5Al2O3.0.17Er2O3, and the incubation temperature of 1000oC were measured for hour A wide band around the 3442cm-1 region is thought to be the stretching strain of the OH-group in the samples Peaks of 469 cm-1, 806 cm-1, 1106 cm-1 are thought to oscillate in the Si-O-Si group With the infrared spectra of the Al3+ ion homogeneous Ha Noi Metroplolitan University 78 sample, we see that the spectrum is approximately 590 cm-1 for the vibrating of the Al-O group The 1095 cm-1 peak caused the vibrating of the Si-O-Si group to move with the wave number of 11 cm-1 compared to the SiO2 background and SiO2.Er3+ (1% wt) toward the lower wave number Peak of 1638 cm-1 gives the bending oscillation of water molecules absorbed into the sample :S iO 3+ :S iO E r (1 % w t) :9 ,3 S iO ,5 A l O ,1 E r O 40 806 Transmittane (%) 30 590 1638 20 1075 3442 469 10 1095 1106 500 1000 1500 2000 2500 3000 3500 4000 -1 W a v e n u m b e r (c m ) Figure Infrared absorption spectrum of SiO2 samples (line 1), SiO2 1% Er3+ (line 2), 99.33 SiO2.0.5Al2O3.0,17Er2O3 (line 3), the same is heated at 1000oC for hour :9 S iO ,5 A l O ,5 E r O :9 ,4 S iO ,9 A l O ,6 E r O 45 40 590 686 Transmittane (%) 35 907 30 805 25 20 469 1638 1200 15 10 1092 3442 500 1000 1500 2000 2500 3000 3500 4000 -1 W a v e n u m b e r (c m ) Figure Infrared absorption spectra of 98SiO2.1.5Al2O3.0.5Er2O3 samples (line 1), 97.4SiO2.1,95Al2O3.0.65E2O3 (line 2) and the incubation temperature of 850oC for 0.5 hour Scientific Journal − No27/2018 79 In Figure 6, the spectrum bands are similar to Figure and Figure These two samples, in addition to Er2O3, were further mixed with Al2O3 content at different concentrations The spectrum recorded is approximately 590cm-1, 686 cm-1,907 cm-1, 1200 cm-1 The 469 cm-1, 805 cm-1, 1092 cm-1 peaks give the oscillation of the Si-O-Si group and shift with the wave number of 14 cm-1 towards the wave number lower than that of the non Al2O3 sample, peaks near 686 cm-1 and 1200 cm-1 attributed to the oscillation of the Al-O group; a peak of nearly 590 cm-1 is attributed to the Al-O-linking oscillation; The peak of 907 cm-1 is attributable to the oscillation of the Si-O-Al or Si-O- groups Strips appearing near 590 cm-1, 907 cm-1, 1200 cm-1 have increased intensity associated with an increase in Al2O3 content The infrared absorption spectra of samples with different composition concentrations were similar The vertices characteristic for silica glass and multi-component glass are represented by Si-O-, Si-O-Si, Al-O, Al-O-, Si-O-Al and presence groups of the remaining OH groups in the samples Infrared absorption spectra of the samples gave consistent results for the works of some authors [2,3,4] CONCLUSION Efficient application of Origin software to demonstrate the infrared spectrum diagram The characteris spectral peaks of silica glass and multi-component one SiO2.Al2O3 with Er3+ doped were investigated The infrared absorption spectroscopy (FTIR) results show about: the information of the background of the glass network; the characteristic lines for the vibration of the SiO2 glass network had a disordered structure; the symmetric vibration(vs) and the antisymmetric vibration (vas) of Si-O-Si groups; the linking vibration of Si-O-Al; and vibration of the groups such as Si-OH group Si-O-Er, AlO-Si-O, Al-O, along with the existence of the OH groups in the sample These results may be necessary in the manufacture of silica glass and multi-component one with the high concentrations of the rare-earth ions doped, to apply the spectral properties in optical communication with the most effective way REFERENCES Nguyen Huu Dinh, Tran Thi Da (1999), Some common methods to study the structure of molecules, - Publishing Education C.Hernandez, A.C Pierre (2000), “E volution of the texture abd structure of SiO2.Al2O3 xerogeels and Aerogels as a Function of Si to Al Molar Reatio”, - Journal of Sol-gel and technology, 20(2000), pp.227-243 Ha Noi Metroplolitan University 80 Ian M.Thomas, Stephen A Payne and Gary D.Wilke (1992), “Optical properties and laser demonstration of Nd-doped sol-gel silica glasses”, - Journal of Non-crystalline solids, 151(1992), pp.183-194 Masayyuki Nogami, Yoshihiro Abe (1995), “Properties of sol-gel derived SiO2.Al2O3 glass using Eu3+ fluorescence spectra”, - Journal of Non-crystalline solids, 197(1995), pp.73-78 Https://www.originlab.com ỨNG DỤNG PHẦN MỀM ORIGIN TRONG NGHIÊN CỨU SỐ LIỆU PHỔ HẤP THỤ HỒNG NGOẠI Tóm tắt: Trong trình nghiên cứu khoa học vật liệu, thiết bị sử dụng để nghiên cứu đo mẫu chế tạo hệ đo như: phổ dao động Micro-Raman, phổ hấp thụ hồng ngoại, phổ hấp thụ, phổ phát xạ huỳnh quang Dữ liệu nhận từ hệ đo tập tin số liệu Nhà nghiên cứu khoa học thường phải xử lý số liệu thực nghiệm biễu diễn qua đồ thị để xác định cấu trúc, tính chất vật liệu Origin phần mềm dùng để vẽ đồ thị, xử lý số liệu, khớp hàm, tìm sai số, tính toán đại lượng Trong báo cáo ứng dụng Origin để phân tích mẫu thu số kết phổ hồng ngoại vật liệu thủy tinh SiO2-Al2O3 chế tạo bẳng phương pháp Sol Gel Phổ hấp thụ hồng ngoại ghi mẫu có thành phần khác tương tự Các đỉnh phổ đặc trưng cho thuỷ tinh silica thuỷ tinh nhiều thành phần thể qua nhóm dao động Si-0-, Si-O-Si, Al-O, Al-O-, Si-O-Al có mặt nhóm OH tồn mẫu Từ khóa: Origin, hấp thụ hồng ngoại, ion Er3+, ion Al3+  ... calculational functions Application of Origin software to process the datas of aluminosilicate glass samples (Si02.Al2O3) measured by the Nexus 670 FT-IR infrared spectrophotometer RESEARCH METHODS... digital data files of the measurement system with the Import command This software has the advantage that after importing data and selecting the quantities to be calculated, the software will automatically... intensity of the radiation depends on the number of waves Because of computer use, the spectra are highly automated 2.2 Processed data from the Nexus 670 FT-IR Infrared Spectrophotometer with Origin Origin