Development of the web-based NIST X-ray Photoelectron Spectroscopy (XPS) Database

Abstract

The first Web-based version of the NIST X-ray Photoelectron Spectroscopy Database (XPSDB) is described. The current database, built from a relational database management system (RDBMS), contains critically evaluated data with over 19,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines. It is available free of charge to the public through the Internet at http://srdata.nist.gov/xps/.

Energy resolved XPS depth profile of (IrO2, RuO2, Sb2O5, SnO2) electrocatalyst powder to reveal core‐shell nanoparticle structure

“…The binding energy of Ir 4f starts at 62.1 eV for the 300 °C and on the surface. This is characteristic of IrCl 3 (62.70 eV28) which is the starting material used to prepare these samples, and decreases with heating and depth to 61.5 eV (which is close to the literature values of 61.1–62.0 eV for IrO 2 28). This suggests that at depth the IrCl 3 has converted almost completely to IrO 2 while the surface still contains some chloride.…”

“…For Ru, the absolute value of the BE conforms most closely to one literature source for RuO 2 (280.7 eV29) while another source gives a similar but wider range of values (280.2–283.1 eV28). Higher oxidation states result in higher BE, with RuO 3 at 282.5–283.3 eV 28, 29.…”

Fine Tuning Electronic Structure of Catalysts through Atomic Engineering for Enhanced Hydrogen Evolution

“…The peaks located at 232.0 and 228.7 eV verify the formation of MoN species. [62,63] The N peaks located at 399.4 eV may be ascribed to the pyridinic N while the peak at 397.4 eV can be assigned to the MoN bonds, perfectly serving as the second evidence for the successful N-doping in Mo 2 C ( Figure 2D). [36][37][38][39][40] The main peak located at 284.34 eV can be attributed to the graphite carbon matrix ( Figure 2C), which corresponds well with the above Raman results ( Figure S8, Supporting Information).…”

“…[21] The above XPS analyses demonstrate the possible N-doping in both Mo 2 C and the carbon matrix. [62,64] As shown in Figure 2F, the peak for Mo 2+ (Mo 3d 5/2 ) is visibly downshifted from 228.5 eV to 228.0 eV with an increased amount of N dopants in N@Mo 2 Cn catalysts (Table S1b, Supporting Information), indicating the electronic structure of Mo atoms in Mo 2 C can be well regulated by N-doping. Since Mo 2+ and Mo 3+ oxidation states are believed to be the catalytic active states for electrocatalytic HER, the influence of N-doping on their binding energies was discussed in more detail.…”

Accessing Materials Data: Challenges and Directions in the Digital Era

“…Surface analysis databases include data on the composition and environment of the entities on a surface, which is critical for ascertaining the reactivity of surfaces. The NIST X-ray Photoelectron Spectroscopy Database was the first example [49]. Other surface analysis techniques have resulted in additional databases [50].…”