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Related Concept Videos

Inductively Coupled Plasma Atomic Emission Spectroscopy: Instrumentation01:26

Inductively Coupled Plasma Atomic Emission Spectroscopy: Instrumentation

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Inductively coupled plasma (ICP) is the common plasma source used in atomic emission spectroscopy (AES), a technique that detects and analyzes various elements in a sample. This method is often called inductively coupled plasma atomic emission spectroscopy (ICP-AES).
There are three main types of inductively coupled plasma atomic emission spectroscopy  (ICP-AES) instruments: sequential, simultaneous multichannel, and Fourier transform instruments, with the latter being less commonly used....
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Atomic Emission Spectroscopy: Lab01:29

Atomic Emission Spectroscopy: Lab

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AES is a powerful analytical technique, especially effective when used with plasma sources, producing abundant spectra in characteristic emission lines. The Inductively Coupled Plasma (ICP), in particular, yields superior quantitative analytical data due to its high stability, low noise, low background, and minimal interferences under optimal experimental conditions. However, newer air-operated microwave sources are emerging as promising alternatives that could be more cost-effective than...
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Atomic Emission Spectroscopy: Overview01:20

Atomic Emission Spectroscopy: Overview

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Atomic emission spectroscopy (AES) is an analytical technique used to determine the elemental composition of a sample by analyzing the light emitted from excited atoms. In AES, atoms in a sample are excited to higher energy levels by thermal energy from high-temperature sources, such as plasma, arcs, or sparks. When these excited atoms return to lower energy states, they emit light at specific wavelengths characteristic of each element. The resulting atomic emission spectrum, which consists of...
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Atomic Emission Spectroscopy: Instrumentation01:22

Atomic Emission Spectroscopy: Instrumentation

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The instrumentation of atomic emission spectrometry (AES) involves various components, including atomization devices that convert samples into gas-phase atoms and ions. There are two main types of atomization devices: continuous and discrete atomizers.  Continuous atomizers, like plasmas and flames, introduce samples in a constant stream, while discrete atomizers inject individual samples using syringes or autosamplers. The most common discrete atomizer is the electrothermal atomizer.
525
Atomic Emission Spectroscopy: Interference01:30

Atomic Emission Spectroscopy: Interference

229
In atomic emission spectroscopy (AES), high-temperature atomizers excite a broad range of elements and molecules that generate complex emissions from sources such as oxides, hydroxides, and flame combustion products in the flame or plasma. Several strategies can be employed to minimize spectral interferences caused by overlapping emission lines or bands. These include increasing instrument resolution, choosing alternative emission lines, optimally placing the detector in low-background regions,...
229
Inductively Coupled Plasma Atomic Emission Spectroscopy: Principle01:19

Inductively Coupled Plasma Atomic Emission Spectroscopy: Principle

700
Inductively coupled plasma (ICP) is the most widely used plasma source in atomic emission spectroscopy (AES), also known as Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). The ICP source, or torch, consists of three concentric quartz tubes with argon gas flowing through them. A spark from a Tesla coil initiates the ionization of argon, generating a high-temperature plasma.
The ions and electrons produced interact with the fluctuating magnetic field created by a water-cooled...
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The AXEAP2 program for Kβ X-ray emission spectra analysis using artificial intelligence.

In Hui Hwang1, Shelly D Kelly1, Maria K Y Chan2

  • 1X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA.

Journal of Synchrotron Radiation
|August 1, 2023
PubMed
Summary
This summary is machine-generated.

Analyzing synchrotron X-ray emission spectra (XES) is challenging. A new genetic algorithm method, implemented in AXEAP2 software, automates spectral analysis for 3d transition metals, providing electronic structure insights.

Keywords:
AXEAPXESelectron interactiongenetic algorithmspin state

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Area of Science:

  • Materials Science
  • Spectroscopy
  • Computational Chemistry

Background:

  • Synchrotron X-ray emission spectroscopy (XES) data processing and analysis require specialized expertise.
  • Previous work developed unsupervised machine learning for XES data processing, but analysis remained a challenge.
  • Analyzing non-resonant Kβ XES of 3d transition metals provides electronic structure information (oxidation and spin states), but parameter matching is labor-intensive.

Purpose of the Study:

  • To develop an automated method for analyzing X-ray emission spectra (XES) data.
  • To apply a genetic algorithm-based approach to fit experimental XES data for 3d transition metals.
  • To create a user-friendly application for efficient XES data analysis.

Main Methods:

  • Developed a novel XES data analysis method utilizing a genetic algorithm.
  • Implemented the genetic algorithm approach into a standalone application named Argonne X-ray Emission Analysis 2 (AXEAP2).
  • Applied the AXEAP2 application to analyze XES data from Mn, Co, and Ni oxides.

Main Results:

  • The AXEAP2 application successfully finds optimal parameters for high-quality fitting of experimental XES spectra with minimal user intervention.
  • The method accurately reproduces experimental spectra for Mn, Co, and Ni oxides.
  • The analysis provides insights into 3d electron spin state, 3d-3p exchange interactions, and Kβ emission core-hole lifetime.

Conclusions:

  • The genetic algorithm-based AXEAP2 software significantly simplifies and accelerates the analysis of XES data.
  • This approach offers valuable insights into the electronic structure of 3d transition metal oxides.
  • Automated spectral analysis using AXEAP2 enhances the utility of XES for materials characterization.