Abstract Ferrous (Fe 2+ ) and ferric 3+ compounds were investigated by XPS to determine the usefulness of calculated multiplet peaks fit high‐resolution iron 2p 3/2 spectra from high‐spin compounds. The multiplets found most well, particularly when contributions attributed surface shake‐up satellites included. This information was useful for fitting complex Fe 3 O 4 where both species are present. It that as ionic bond character —ligand increased, binding energy associated with either...

The binary transition-metal monophosphides CrP, MnP, FeP, and CoP have been studied with X-ray photoelectron spectroscopy. shifts in phosphorus 2p(3/2) core line binding energies relative to that of elemental indicated the degree ionicity metal-phosphorus bond decreases on progressing from CrP CoP. metal differ only slightly show similar shapes those metals, reaffirming notion these phosphides considerable metallic character. satellite structure observed Co spectra was examined by reflection...

The electronic structures of metal-rich binary phosphides M2P and M3P (M = Cr−Ni) have been examined by means X-ray photoelectron absorption spectroscopy compared with those the monophosphides MP. P 2p3/2 binding K-edge energies decrease greater ionic character M−P bonding indicate presence anionic phosphorus, contrary to previous theoretical assertions but consistent our results. Interatomic effects play a more important role in affecting energy shifts these than monophosphides, becoming...

Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity their M 2p spectra. Complex multiplet splitting, shake-up plasmon loss structure can play a role in interpretation states present. This paper will show practical curve fitting procedures for measurement different metal from survey metals. It also discuss some limitations pitfalls present as well give examples...

Abstract The oxidation of polycrystalline nickel (Ni) metal surfaces after exposure to oxygen gas (O 2 ) at 25 and 300 °C pressures near 130 Pa, was studied using X‐ray photoelectron spectroscopy (XPS). Oxide structures involving both divalent (Ni 2+ trivalent 3+ species could be distinguished Ni 2p spectra, while surface adsorbed O atomic (O) differentiated from bulk oxide 2− 1s spectra. thicknesses distributions were determined QUASES ™ , the average thickness verified Strohmeier formula....

Mixed-metal variants (Ni1−xM′x)2P (M′ = Cr, Fe, Co; 0 ≤ x 1) of the binary phosphide Ni2P, a well-known hydrodesulfurization and hydrodenitrogenation catalyst, have been examined by X-ray photoelectron (XPS) absorption (XANES) spectroscopy. The P 2p3/2 binding energies K-edge in (Ni1−xCrx)2P, (Ni1−xFex)2P, (Ni1−xCox)2P are lower than with shifts becoming more pronounced greater difference electronegativity between Ni/M′. These influenced primarily intraatomic effects. However, secondary...

The synthesis, crystal, and magnetic structures the bulk properties of Ca2FeCoO5, a brownmillerite type oxide, are presented. crystal structure, solved refined from single X-ray powder neutron diffraction data, is described in Pbcm with cell parameters, = 5.3652(3) Å, b 11.0995(5) c 14.7982(7) Å. Thus, one axis, this setting, doubled comparison standard structure description giving rise to two sets octahedral tetrahedral sites. Aided by strong scattering contrast between Fe Co for neutrons,...

Rhabdophane- (REPO4·nH2O; RE = La to Dy), monazite- (REPO4; Gd), and xenotime-type (REPO4 RE′PO4·nH2O; Tb Lu Y; RE′ Ho Y) rare-earth phosphate materials are being considered for a number of applications including as photonic materials, biolabeling studies, potential nuclear wasteforms. Structural studies hydrous phosphates rather limited when compared anhydrous phosphates. In this study, rhabdophane- La, Nd, Sm, Gd, Dy) Y Yb) were synthesized by precipitation-based method investigated using...

The long-term aqueous corrosion behaviour of Fe-Al borosilicate glass-zirconolite (Fe-Al-BG-CaZrTi2O7) glass-ceramic composite materials results from incongruent and congruent mechanisms the individual zirconolite (CaZrTi2O7) glass (Fe-Al-BG) phases after Fe-Al-BG-CaZrTi2O7 were exposed to deionised water for 365 days. A comprehensive investigation resistance structural stability has demonstrated that proposed are chemically durable over exposure can be considered as potential alternative...

Depending on the radius ratio of A and B site cations, A2B2O7-type oxides can adopt different crystal structures, including pyrochlore-, defect fluorite-, or bixbyite-type structures. Gd2Zr2O7 with a rGd3+/rZr4+ 1.46 is an example that exhibits polymorphic transition between pyrochlore- fluorite-type To delve deeper into these transitions, Ce was introduced as substitute in B-site Gd2Zr2O7. Gd2Zr2-xCexO7 (0 ≤ x 2) synthesized using coprecipitation method annealed at 1400 °C. Previous...

Abstract QUASES™ Analyze and Generate were used to model the extrinsic loss structures for XPS spectra of oxide films grown on iron in such a way that their thickness structure could be determined. The program conjunction with oxides allowed both magnetite (Fe 3 O 4 ) maghaemite (γ‐Fe 2 identified all studied. These as overlying layers usually intermixed at interface. absence other within film tested based goodness fit experimental spectrum. Comparison values obtained using those found...

X-ray absorption near-edge spectroscopic (XANES) measurements of the Fe and Co K-edges for a series Brownmillerite-type transition-metal oxides (A2B′xB2−xO5; A = Ca, Sr; B′/B Al, Mn, Fe, Co) have been made. In these compounds, metal atoms are present in both octahedral tetrahedral coordination environments. The spectra were interpreted with aid electronic structure calculations. Significant changes intensity energy observed K-edge as average Fe3+ number (CN) was changed from 5.5 (Ca2AlFeO5)...

The (TiO2)x(SiO2)1−x system (0 ≤ x 0.33) was synthesized by the sol–gel method and investigated X-ray absorption near-edge spectroscopy (XANES) photoelectron (XPS). use of both hard (Ti K-edge) soft L-edge) X-rays provides a useful way to monitor changes in bulk surface, respectively, these amorphous materials. average CN bulk-Ti surface-Ti increases with greater chemical formula, due larger ionic radius Ti. Comparison Ti K- L-edge spectra annealed samples revealed that atoms at surface have...

Rare-earth orthoferrites, REFeO₃ (RE D rare earth; Y), are tremendously adaptable compounds that being investigated for use in a wide variety of applications including gas sensors, vehicle catalytic converters, and solid-oxide fuel cells. They also exhibit interesting magnetic properties such as high-temperature antiferromagnetism, making them useful data storage applications. The adopt distorted perovskite-type structure where the tilt angle octahedra increases (Fe-O-Fe bond decreases) size...

Crystalline solid-state oxides that exhibit resistance to radiation-induced structural damage are being considered as materials for the immobilization of waste actinide elements. In this regard, compounds adopting monazite (REPO4; RE = La Gd) or xenotime (RE′PO4; RE′ Tb Lu and Y) structures investigated application. Both these coexist in natural samples which leads formation solid solutions. study, multiple series solutions (La1–xYbxPO4, La1–xYxPO4, Sm1–xHoxPO4) were synthesized by powder...

The electronic structure of the skutterudites $\mathrm{Co}{\mathrm{Sb}}_{3}$, $\mathrm{Co}{\mathrm{P}}_{3}$, $\mathrm{La}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$, and $\mathrm{Ce}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$ has been investigated with x-ray photoelectron spectroscopy. binding energies in pnicogen transition metal $2p$ spectra are shifted to reflect changes bonding character these compounds. asymmetric line shapes signal delocalization. A plasmon loss satellite peak occurs Co...