Development of NIST X-ray Photoelectron Spectroscopy (XPS) Database, Version 5

Published

September 18, 2024

Author(s)

Angela Y. Lee, Cedric J. Powell, Justin Gorham, Adam Morey, John Henry Scott, Robert Hanisch

Abstract

It has been over 20 years since the National Institute of Standards and Technology (NIST) first launched the web version of its X-ray photoelectron spectroscopy (XPS) database [1] [2]. The XPS website has an approximate 1000 users everyday. The technology used to implement the website was obsolete, and the application also did not meet current NIST security requirements. There was an urgent need to develop the next generation of this popular web application with new features and enhancements. The newly developed application is built upon relational database with the cross-platform and open-source framework. The current XPS database contains critically evaluated data with over 33,500-line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines as well as new Digital Object Identifier (DOI) data for almost all of the citation data. The new features of the XPS application not only have a modern design interface but also include custom-built components for displaying formatted molecular formulas and spectral lines, for sorting photoelectron and Auger-electron lines, and for graphical display of chemical shifts of binding energies, Auger-electron kinetic energies, and Auger parameters for elements in different compounds. The newly developed web application is available free of charge to the public with the Uniform Resource Locator (URL): https://srdata.nist.gov/xps.

Citation

Data Science Journal

Volume

23

Pub Type

Journals

Download Paper

https://doi.org/10.5334/dsj-2024-045

Local Download

Keywords

X-ray photoelectron spectroscopy (XPS), Standard Reference Data (SRD), Database, Data-Driven ASP.NET Core Blazor Server Web Application, Entity Framework Core

Citation

Lee, A. , Powell, C. , Gorham, J. , Morey, A. , Scott, J. and Hanisch, R. (2024), Development of NIST X-ray Photoelectron Spectroscopy (XPS) Database, Version 5, Data Science Journal, [online], https://doi.org/10.5334/dsj-2024-045, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=957054 (Accessed January 14, 2026)