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The experimental results of X-ray diffraction (XRD), optical absorbance, scanning electron microscopy (SEM), and X-ray photoelectron spectra (XPS) of the core levels and valence bands of MAPbBr3 (MA-CH3NH3+) perovskite before and after exposure to visible light for 700 h at temperatures of 10 and 60 °C are presented. It reveals that the light soaking at 60 °C induces the decomposition of MAPbBr3 perovskite accompanied with the decay of organic cation and the release of a PbBr2 phase as a degradation product whereas the photochemical degradation completely disappears while the aging temperature is decreased to 10 °C. © 2022 by the authors.

TiSiCN coatings have been obtained by anode evaporation of titanium and the decomposi-tion of hexamethyldisilazane in an arc discharge, using a self-heated hollow cathode, at the pressure rate of 1 mTorr of the Ar+N2 gas mixture. The proposed method makes it possible to independently and widely change the amount of metal and precursor vapor flows, the pressure and composition of the vapor-gas mixture and the degree of ionic interaction on the surface of the growing coating within a single discharge system. The paper presents the method and the results of the effect of a current discharge (10–50 A), and the flux of precursor vapours (0–1 g/h), on deposition rates, compositions, and properties of TiSiCN coatings deposited by an advanced combined PVD+PECVD method. Dense homogeneous TiSiCN coatings up to 6 µm thick and up to 27.5 GPa in hardness were obtained at 7.5 µm/h. The composition of the obtained coatings has been studied by X-ray diffraction and X-ray photoelectron spectroscopy, and it has been shown that the presented methods can form nanocomposite coatings with nanocrystallites TiC, TiN, and TiCxN1−x 3–10 nm in the amorphous matrix based on SiCN. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

We report the synthesis and electrochemical characterization of octahydroxytetraazapentacenedione (OHTAPQ). The potassium batteries using OHTAPQ as electrode material delivered the specific capacity of 190 mAh g−1 at the current density of 0.6 A g−1. The use of the concentrated (2.2 M KPF6) diglyme-based electrolyte suppressed significantly the capacity fading of the potassium half-cells with OHTAPQ electrodes thus enabling their stable operation for 1200 charge-discharge cycles. Furthermore, OHTAPQ delivered the specific discharge capacity of 82–103 mAh g−1 at high current densities of 9–21 A g−1, which leads to high power densities approaching 41000 W kg−1. Thus, we demonstrate that the rationally designed organic electrode material enables high-capacity and high-power potassium batteries, which can be considered as a more environment-friendly and scalable alternative to the mainstream lithium-ion battery technology. © 2021 Elsevier B.V.

The results of full study of X-ray photoelectron spectra (XPS) of spin-liquid candidate CuAl2O4 including the measurements of high-energy resolved core level (Cu 2p, Al 3p, O 1s), Cu LMM Auger and valence band spectra are presented. The comparison of obtained results with spectra of reference samples and specially performed density functional theory calculations has confirmed a finite Cu site-disorder in CuAl2O4, where about 30% of Cu2+ ions occupy the octahedral sites. Obtained valence band spectra can be used in further theoretical studies aimed on the investigation of electronic and magnetic properties of this mysterious ma-terial. © 2021, The Author(s).

The results of X-ray photoelectron spectra (XPS) characterization of the surface of Ag-Au colloidal nanoparticles (Ag-Au NPs), prepared by laser ablation in water before and after interaction with linear carbon chains (LCC), are presented. No additional features appear in high-energy resolved XPS core level spectra of Ag-Au NPs which indicates that surface is not oxidized. The measurements of XPS Ag 3d-spectrum of (Ag-Au)@LCC manifests the additional low-energy structure that is associated with the formation of Ag–C bonds. The charge transfer between Au atoms on the NPs surface and LCC was established. Additionally, some oxidation of the Ag atoms on the surface of (Ag-Au)@LCC is observed which arises during laser ablation in water. We assume that oxidative species will preferably interact with the areas outside the LCC instead of oxidizing the carbon chains which was confirmed by XPS C 1s spectra. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.

Perovskite solar cells represent a highly promising third-generation photovoltaic tech-nology. However, their practical implementation is hindered by low device operational stability, mostly related to facile degradation of the absorber materials under exposure to light and elevated temperatures. Improving the intrinsic stability of complex lead halides is a big scientific challenge, which might be addressed using various “molecular modifiers”. These modifiers are usually rep-resented by some additives undergoing strong interactions with the perovskite absorber material, resulting in enhanced solar cell efficiency and/or operational stability. Herein, we present a deriva-tive of 1,4,6,10-tetraazaadamantane, NAdCl, as a promising molecular modifier for lead halide perovskites. NAdCl spectacularly improved both the thermal and photochemical stability of methy-lammonium lead iodide (MAPbI3 ) films and, most importantly, prevented the formation of metallic lead Pb0 as a photolysis product. NAdCl improves the electronic quality of perovskite films by healing the traps for charge carriers. Furthermore, it strongly interacts with the perovskite framework and most likely stabilizes undercoordinated Pb2+ ions, which are responsible for Pb0 formation under light exposure. The obtained results feature 1,4,6,10-tetraazaadamantane derivatives as highly promising molecular modifiers that might help to improve the operational lifetime of perovskite solar cells and facilitate the practical implementation of this photovoltaic technology. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.

By using X-ray photoelectron spectroscopy and density functional theory based calculations, it has been found that graphene in BaTiO3/graphene oxide composites prepared by inexpensive traditional ceramic processing behaves as an active filler. It also induces an interfacial bonding with the formation of Ti–O–C chemical bonds that lead to a reduction of the band gap from 3.4 to 2.4 eV, which is attractive for various photocatalytic applications. The pathway and energetics of hydrogen evolution reaction in acidic and alkaline media over BaTiO3/graphene oxide substrates were checked. © 2020

In this study, we investigate the photo-/thermal degradation mechanism of hybrid perovskites by using x-ray photoelectron (XPS) valence band (VB) spectra coupling with density functional theory (DFT) calculations. Herein, CH3NH3PbI3 is respectively subjected to irradiation with visible light and annealing at an exposure of 0-1000 h. It is found from XPS survey spectra that, in both cases (irradiation and annealing), a decrease in the I:Pb ratio is observed with aging time, which unambiguously indicates the formation of PbI2 as the product of photo/thermal degradation. The comparison of the XPS VB spectra of irradiated and annealed perovskites with the DFT calculations of CH3NH3PbI3 and PbI2 compounds have showed a systematic decrease in the contribution of I-5p states, which allows us to determine the respective threshold for degradation, which is 500 h for light irradiation and 200 h for annealing. This discrepancy might be due to the fact that the relaxation of thermal excitations of the system is carried out only by the phonons (which are non-radiative physical processes) while the radiative processes occurred during the photoexcitation will elastically or inelastically divert part of the external energy from the system to reduce its impact on perovskite degradation. © 2019 IOP Publishing Ltd.

In this paper, we present the results of liquid low-level radioactive wastes (LLLRW) treatment by direct contact membrane distillation (DCMD) using polyethylene terephthalate (PET) track-etched membranes (TeMs). PET TeMs were modified by styrene and triethoxyvinylsilane (TEVS) using UV-induced grafting. Modification led to increase in the contact angle to 99° of PET TeMs (pore size from 150 to 300 nm). Hydrophobic PET TeMs were investigated by X-ray photoelectron spectroscopy (XPS), Fourier-transform infrared spectroscopy (FTIR), goniometric analysis, gas permeability test, liquid entry presser (LEP) analysis and scanning electron microscope (SEM). Prepared membranes were tested in treatment of LLLRW by DCMD. The influence of pore size on water flux and rejection degree was studied. Rejection degree was evaluated by conductometry and atomic emission methods. Decontamination factors (evaluated by gamma-ray spectroscopy) for 60Co, 137Cs, and 241Am were found to be 85, 1900 and 5 respectively. In most cases degree of rejection of Cs, Mo, Sr, Sb, Al, Ca, Fe, K, Mg and Na ions were more than 90% and close to 100%. The use of TeMs with a narrow pores size distribution and without tortuous channels allowed us to achieve better purification from radioactive wastes in comparison with hollow-fiber membranes. © 2019 Elsevier Ltd

By using X-ray photoelectron spectroscopy and density functional theory based calculations, it has been found that graphene in BaTiO3/graphene oxide composites prepared by inexpensive traditional ceramic processing behaves as an active filler. It also induces an interfacial bonding with the formation of Ti–O–C chemical bonds that lead to a reduction of the band gap from 3.4 to 2.4 eV, which is attractive for various photocatalytic applications. The pathway and energetics of hydrogen evolution reaction in acidic and alkaline media over BaTiO3/graphene oxide substrates were checked.

Controlled input of oxygen into the inert working gas flow during the production of Ni nanoparticles by the electrical explosion of wire (EEW) method leads to the formation of a crystalline oxide shell on the surface of particles during their condensation from the vapor phase. Resulting oxide shells encapsulating Ni particles weaken their agglomeration processes as well as protect the surface of the Ni nanoparticles from further oxidation. The influence of the amount of energy introduced during EEW and the quantity of oxygen added to the working gas in EEW process on the properties of resulting Ni nanoparticles was studied. The obtained nickel nanopowders were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and N2 adsorption (BET) methods, which gave the specific surface area, the average diameter of nanoparticles, their phase composition, the morphology of the particles and the structure of the oxide shells. It was shown that the addition of oxygen leads to a decrease in the average diameter of Ni nanoparticles and reduces the degree of their agglomeration. The encapsulation of Ni nanoparticles with 3–5 nm thick gas-tight oxide shells protects the particles from oxidation and eliminates the pyrophoricity of the powder product.

The results of optical transmission and X-ray core-level spectra measurements of Yb:Y 2 O 3 ceramics with different tetravalent sintering additives (ZrO 2 , CeO 2 and HfO 2 ) fabricated from nanopowders (produced by the laser ablation method) and then annealed at 1400 °C in air for 2 h are presented. It is found that the transmission values for ZrO 2 - and HfO 2 -doped ceramics at the lasing wavelengths are higher than those of CeO 2 -doped samples. The X-ray photoelectron spectra (XPS) O 1s spectra show that the relative intensity of oxygen defect peak detected for 3Yb:Y 2 O 3 + 5CeO 2 ceramics decreases substantially and consistently compared to that of 5Yb:Y 2 O 3 + 5HfO 2 and 3Yb:Y 2 O 3 + 5ZrO 2 samples. This can be attributed to a more complete filling of oxygen vacancies due to annealing-induced oxygen diffusion into the highly defective sintered ceramics. The measurements of XPS Ce 3d spectra showed that the insufficiently complete filling of the oxygen vacancies in the 3Yb:Y 2 O 3 + 5CeO 2 compound is due to the appreciable presence of trivalent cerium ions. © 2019 by the authors.

Mechanochemical synthesis based on ball-milling of individual oxides was applied as a one-step preparation technique for CuO-CeO2 catalyst for preferential CO oxidation in H2 excess. The mechanical energy dose transferred to the original powder mixture determines both the catalyst composition and activity. It is found that after 90 min of milling (corresponding to a dose of 372 kJ mol-1), a mixture of 10 wt.% CuO-CeO2 powder exhibits a CO conversion of 97% at 423 K. Four active oxygen states, which are not observed in case of pure CeO2, were detected in the nanocomposite lattice and attributed to the presence of Cu in surface sites as well as in subsurface bulk sites of CeO2, in nearest neighbor and next nearest neighbor positions. Correspondingly, oxidation of CO to CO2 was found to occur in a two-stage process with Tmax = 395/460 K, and oxidation of H2 to H2O likewise in a four-stage process with Tmax = 426/448/468/516 K. The milled powder consists of CeO2 crystallites sized 8-10 nm agglomerated to somewhat larger aggregates, with CuO dispersed on the surface of the CeO2 crystallites, and to a lesser extent present as Cu2O. © 2019 Author(s).

Directly measuring elementary electronic excitations in dopant 3d metals is essential to understanding how they function as part of their host material. Through calculated crystal field splittings of the 3d electron band it is shown how transition metals Mn, Fe, Co, and Ni are incorporated into SnO2. The crystal field splittings are compared to resonant inelastic X-ray scattering (RIXS) experiments, which measure precisely these elementary dd excitations. The origin of spectral features can be determined and identified via this comparison, leading to an increased understanding of how such dopant metals situate themselves in, and modify the host's electronic and magnetic properties; and also how each element differs when incorporated into other semiconducting materials. We found that oxygen vacancy formation must not occur at nearest neighbour sites to metal atoms, but instead must reside at least two coordination spheres beyond. The coordination of the dopants within the host can then be explicitly related to the d-electron configurations and energies. This approach facilitates an understanding of the essential link between local crystal coordination and electronic/magnetic properties. © 2019 the Owner Societies.

In this work, we report X-ray photoelectron (XPS) and valence band (VB) spectroscopy measurements of surfactant-free silver nanoparticles and silver/linear carbon chains (Ag@LCC) structures prepared by pulse laser ablation (PLA) in water. Our measurements demonstrate significant oxidation only on the surfaces of the silver nanoparticles with many covalent carbon-silver bonds but only negligible traces of carbon-oxygen bonds. Theoretical modeling also provides evidence of the formation of robust carbon-silver bonds between linear carbon chains and pure and partially oxidized silver surfaces. A comparison of theoretical and experimental electronic structures also provides evidence of the presence of non-oxidized linear carbon chains on silver surfaces. To evaluate the chemical stability, we investigated the energetics of the physical adsorption of oxidative species (water and oxygen) and found that this adsorption is much preferrable on oxidized or pristine silver surfaces than the adsorption of linear carbon chains, which makes the initial step in the oxidation of LCC energetically unfavorable. © 2017 Elsevier Ltd

The results of X-ray photoemission (XPS) and valence bands spectroscopy, optically stimulated electron emission (OSEE) measurements and density functional theory based modeling of graphene oxide (GO) placed on Cu via an electrophoretic deposition (EPD) are reported. The comparison of XPS spectra of EPD prepared GO/Cu composites with those of as prepared GO, strongly reduced GO, pure and oxidized copper demonstrate the partial (until C/O ratio about two) removal of oxygen-containing functional groups from GO simultaneously with the formation of copper oxide-like layers over the metallic substrate. OSEE measurements evidence the presence of copper oxide phase in the systems simultaneously with the absence of contributions from GO with corresponding energy gap. All measurements demonstrate the similarity of the results for different thickness of GO cover of the copper surface. Theoretical modeling demonstrates favorability of migration of oxygen-containing functional groups from GO to the copper substrate only for the case of C/O ratio below two and formation of Cu-O-C bonds between substrate and GO simultaneously with the vanishing of the energy gap in GO layer. Basing on results of experimental measurements and theoretical calculations we suggest the model of atomic structure for Cu/GO interface as Cu/CuO/GO with C/O ratio in gapless GO about two. © 2018 Elsevier B.V.

The results of X-ray photoelectron spectroscopy measurements (core levels and valence bands) of RFe5Al7 (R = Lu, Tm, Er, Ho, Dy, Tb, Gd) single crystals are presented in comparison with the results of bulk magnetization studies and electronic structure calculations. It is shown that the increase of the Curie temperature in RFe5Al7 from Tm to Gd is associated with an increase of the indirect R 4f - Fe 3d exchange interaction at the expense of the multiplicity 2S + 1 (statistical weight) in the ground state 2S + 1LJ of R3+ ions. The nonmonotonic behavior of the ferrimagnetic compensation temperature, Tcomp, as well as the values of the spontaneous magnetic moment, Ms, and formation energy, Eform, of the 4fn levels in R metals in a series from ErFe5Al7 to GdFe5Al7 are explained by the difference in the quantum numbers L, J and S of the ground state of R3+ ions, leading to a maximum value of Tcomp, Ms and Eform for the Dycontaining compound. The electronic structure of Gd/LuFe5Alsub>7 is calculated using the GGA+U approach, on the basis of which the physical mechanism and relative strength of the interatomic R-Fe and Al-Fe interactions are considered, and also the difference in the magnetic moments of iron atoms in different structural positions is explained.