{"title":"Application of a Convolutional Neural Network for Automated Analysis of X-ray Photoelectron Spectra of Heterogeneous Catalysts","authors":"A. A. Vakhrushev, A. V. Matveev, A. V. Nartova","doi":"10.1134/S0023158424602687","DOIUrl":null,"url":null,"abstract":"<p>A convolutional neural network was used to solve the problem of segmentation of XPS spectra. The developed combination of recognition using a machine learning model and a post-processing algorithm provided fast automatic analysis of XPS data. The results of determining the positions and areas of peaks were in good agreement with both the results of manual analysis and handbook values. The proposed approach was applied to analyze the XPS spectra of heterogeneous catalysts (Pd/Al<sub>2</sub>O<sub>3</sub> and Sr<sub>2</sub>TiO<sub>4</sub>) and chemical compounds used in the preparation of catalysts (AgCl and TiO<sub>2</sub>).</p>","PeriodicalId":682,"journal":{"name":"Kinetics and Catalysis","volume":"65 6","pages":"788 - 796"},"PeriodicalIF":1.4000,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Kinetics and Catalysis","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0023158424602687","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
A convolutional neural network was used to solve the problem of segmentation of XPS spectra. The developed combination of recognition using a machine learning model and a post-processing algorithm provided fast automatic analysis of XPS data. The results of determining the positions and areas of peaks were in good agreement with both the results of manual analysis and handbook values. The proposed approach was applied to analyze the XPS spectra of heterogeneous catalysts (Pd/Al2O3 and Sr2TiO4) and chemical compounds used in the preparation of catalysts (AgCl and TiO2).
期刊介绍：
Kinetics and Catalysis Russian is a periodical that publishes theoretical and experimental works on homogeneous and heterogeneous kinetics and catalysis. Other topics include the mechanism and kinetics of noncatalytic processes in gaseous, liquid, and solid phases, quantum chemical calculations in kinetics and catalysis, methods of studying catalytic processes and catalysts, the chemistry of catalysts and adsorbent surfaces, the structure and physicochemical properties of catalysts, preparation and poisoning of catalysts, macrokinetics, and computer simulations in catalysis. The journal also publishes review articles on contemporary problems in kinetics and catalysis. The journal welcomes manuscripts from all countries in the English or Russian language.
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