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First-Principle Study of Phosphine Adsorption on Si(001)-2x1-Cl
The Journal of Physical Chemistry C (США). 2018. Vol. 122. No. 3. P. 1741–1745.
This paper presents a density functional theory study for phosphine adsorption on a Si(001)-2 × 1 surface covered by a chlorine monolayer, including adsorption on local defects, i.e., mono- and bivacancies in the adsorbate layer (Cl, Cl2), and combined vacancies with removed silicon atoms (SiCl, SiCl2). Activation barriers were found for the adsorbing PH3 to dissociate into PH2 + H and PH + H2 fragments; it was also established that phosphine dissociation on combined vacancies is possible at room temperature. If there is a silicon vacancy on the surface, phosphorus settles in the Si(001) lattice as PH (if the vacancy is SiCl) or as PH2 (if the vacancy is SiCl2). This paper suggests a method to plant a separate phosphorus atom into the silicon surface layer with atomic precision, using phosphine adsorption on defects specially created on a Si(001)-2 × 1–Cl surface with a scanning tunneling microscope tip.
The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 18 P. 5386–5394
We demonstrate and rationalize the effect of Au nanoparticles (NPs) on the hierarchical g-C3N4/CeO2 heterojunction. g-C3N4/CeO2 decorated with monodispersed plasmonic Au NPs was synthesized. Detailed analyses showed that CeO2 nanocubes and monodispersed Au NPs were evenly distributed over the 2D g-C3N4 surface, forming a robust interface enriched with abundant active sites. The structure enabled efficient separation of photogenerated charge ...
Added: May 16, 2026
Das A., Paul R., Sharma N. et al., Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 728 P. 138830
Niobium-doped TiO2 (Nb-TiO2), demonstrates dual functionality as an efficient photocatalyst for dye degradation and a promising photoelectrocatalyst for water oxidation. Nb incorporation via a facile hydrothermal method was confirmed by XRD (Rietveld refinement), XPS, TEM, FT-IR, Raman, and BET analyses, indicating successful lattice doping and structural modification. Photocatalytic dye degradation experiments were conducted using a model ...
Added: May 16, 2026
Kolokolov I., Lebedev V., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2026 Vol. 113 Article 054117
We theoretically investigate the correlation functions of the phase of a light wave propagating through a
turbulent medium. We use an equation for the logarithm of a wave packet envelope, which includes a secondorder
nonlinear term. Based on this equation, we develop a diagrammatic technique to calculate corrections
to the correlation function obtained in the linear approximation. We ...
Added: May 15, 2026
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Гущина В. А., Mendeleev Communications 2025 Vol. 35 No. 2 P. 193–195
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are intensively studied for their unique optical properties, though synthesizing single-phase nanoparticles has posed challenges. Detailed synthesis method of CsPbBr3 and Cs4PbBr6 single-phase nanoparticles and their chemical and phase analysis are described. Distinctive optical characteristics, such as photoluminescence, optical band gap and the Urbach tail region, are revealed and explained within the current ...
Added: May 14, 2026
Гущина В. А., Physics of Complex Systems, Russia 2026 Vol. 7 No. 1 P. 3–15
Heterostructures based on ZnO nanorods and CsPbBr3 nanocrystals were investigated for their potential as semiconductor SERS substrates. We found that ZnO morphology governs the efficiency of interfacial energy transfer, leading to enhanced photoluminescence under 390 nm excitation and a noticeable reduction of the bandgap in the composites. Raman analysis revealed a pronounced intensity enhancement and ...
Added: May 14, 2026
Bisnovatyi-Kogan G., Kondratyev I., Moiseenko S. G., International Journal of Modern Physics A 2025 Vol. 40 No. 7 Article 2550018
Bright transient objects in different wave bands have been discovered in recent years.
To explain these short (from ms to s), and very powerful events, different models, galactic and
extragalactic, have been considered. One of the popular models is based on the suggestion of
transformation of the magnetized plasma blob, presumably a magnetohydrodynamic (MHD)
shock wave, moving with relativistic ...
Added: May 11, 2026
Торопина О. Д., Бисноватый-Коган Г. С., Moiseenko S. G., Astronomy Reports 2025 Vol. 69 No. Suppl. 1 P. 80–90
The results of MHD simulations of supersonic astrophysical and laboratory jets in an external
poloidal magnetic field (Br,Bz) taking into account the rotation of the matter, are presented. The ejected
matter is collimated by the magnetic field, the degree of collimation and the flow structure depend on the
relation between of the magnetic field induction and the angular ...
Added: May 11, 2026
Morozov E. V., Demin A. S., Borovitskaya I. V. et al., Inorganic Materials: Applied Research 2026 Vol. 17 No. 3 P. 619–626
This article presents the results of experiments on the impact of powerful pulsed ion-plasma and
electron flows generated in the working chamber of the Plasma Focus PF-5M installation during each highvoltage
discharge on a model aluminum alloy B95. It is shown that the general characteristics of the alloy’s
damage upon exposure to pulsed flows of helium ions (HI) ...
Added: May 4, 2026
A. A. Ponomarev, N. L. Aleksandrov, Plasma Physics Reports 2026 Vol. 52 No. 3 P. 367–378
An approximate method for calculating drift velocity and other kinetic coefficients of heavy ions
in a light gas is generalized to gaseous mixtures. Obtained equations are used to calculate the mobilities of
and ions, as well as rate constants for inelastic ion–molecule processes with these ions in helium with
small additions of O2 under an electric field. Calculated ...
Added: April 27, 2026
Domrin V. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2026 Vol. 64 No. 2 P. 238–252
During magnetospheric perturbations a relatively thin current sheet with thickness about several
proton gyroradii forms in the Earth’s magnetotail. In a framework of the kinetic model describing current
sheet thinning in the magnetotail, the processes of its formation are investigated depending on the normal
magnetic field magnitude which affects both the current sheet structure and particle dynamics within ...
Added: April 27, 2026
Tsareva O. O., Malova H. V., V. Yu. Popov et al., Plasma Physics Reports 2026 Vol. 52 No. 2 P. 179–185
The influence of asymmetry of plasma sources on the structure and spatial localization of a superthin
current sheet (STCS) supported by demagnetized electrons is studied using a self-consistent model. The
simulation takes into account the presence of a single plasma source in the northern hemisphere, which
makes the plasma flow asymmetric. It is demonstrated that the asymmetry of ...
Added: April 27, 2026
П.А.Беспалов, О.Н. Савина, Геомагнетизм и аэрономия 2025 Т. 65 № 5 С. 620–628
Several basic models of frequency dynamics in quasi-periodic VLF emissions with spectral form repetition
periods from 10 to 300 s are considered. In all cases, we are talking about manifestations of cyclotron instability
of electron radiation belts thet are well described within the framework of the plasma magnetospheric maser
theory based an the averaged self-consistent system of quasi-linear ...
Added: April 25, 2026
Bondarenko G.G., Fisher M. R., Kristya V. I., Bulletin of the Russian Academy of Sciences: Physics 2026 Vol. 90 No. 4 P. 572–576
A model of the cathode layer of a glow gas discharge with a thin dielectric film on a fraction of the
cathode’s working surface is formulated. It is shown that a glow discharge most rapidly transits to an arc discharge,
accompanied by a significant increase in discharge current density and a decrease in cathode voltage
drop, if the ...
Added: April 25, 2026
Lu X., Tognazzi A., Klimov V. et al., Plasmonics 2026 Vol. 21 P. 1503–1512
Plasmonic nanostructures typically exhibit shifts in their resonant wavelength in response to changes in the refractive index of the surrounding medium. This limits their applications in scenarios requiring stable optical resonances. Here we present a metallic-dielectric hybrid metasurface that exhibits stable multi-wavelength resonance even if the refractive index of its surrounding varies. To quantitatively evaluate the stability of ...
Added: April 22, 2026
B.V. Andryushechkin, Denisenkov V. S., Komarov N. S. et al., Surface Science 2025 Vol. 760 Article 122769
Adsorption of iodine on Ag(110) has been studied in ultra high vacuum with room temperature scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) in combination with density functional theory (DFT) calculations. It was found that at low coverages iodine forms structure. Further adsorption of iodine leads to compression of atoms in the troughs along direction and formation of domain walls separating domains. As ...
Added: February 17, 2026
Tararushkin E., Ruban A., Bu H. et al., Journal of Molecular Liquids 2026 Vol. 448 Article 129359
This study investigates the molecular mechanisms governing ammonium interactions with glauconite, a potassium- and iron-rich phyllosilicate, focusing on the structure and dynamics of aqueous NH4NO3 solutions confined at mineral interfaces. Glauconite-ammonium nanocomposites (GANs) were prepared with varying ammonium concentrations and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy, scanning electron microscopy, Brunauer-Emmett-Teller method, ...
Added: February 9, 2026
Mehrabi-Kalajahi S., Vasigh S. A., Wu X. et al., The Journal of Physical Chemistry Letters 2025 Vol. 16 No. 46 P. 12113–12123
The solvent-free and aerobic oxidation of benzyl alcohol is an exceptionally efficient approach for synthesizing benzaldehyde; however, the conversion rates and selectivity are still insufficient as effective catalysts need to successfully activate both the O–H bond and the O2 molecules. In this study, various layered double hydroxides (LDHs) were successfully prepared and employed for the oxidation ...
Added: November 22, 2025
Сысоэв, Э., Bashirov I., Sychov M. et al., ACS Applied Materials & Interfaces 2025 Vol. 17 No. 22 P. 33108 – 33120
Added: November 12, 2025
Vergeles S. S., Levchenko A., Parfenyev V., Успехи физических наук 2025 Т. 195 № 11 С. 1199–1220
Attenuation of surface waves due to viscous dissipation is accompanied by the excitation of slow vortex currents due to the conservation of total momentum. We present a theoretical model for small-amplitude waves that explains experiments on vortex flow generation by crossing waves. Special attention is paid to the effect of surface contaminants, which is accounted ...
Added: November 9, 2025
Pavlova T., Shevlyuga V. M., Physical Chemistry Chemical Physics 2025 Vol. 27 No. 43 P. 23421–23427
Phosphorus diffusion on a Si(100) surface was studied using scanning tunneling microscopy (STM) at temperatures of 77 and 300 K. The phosphorus source utilized was the PBr_3 molecule, which fully dissociates on the surface at 77 K. We observed diffusion of P atoms both along and across the rows of Si dimers. To support the observation ...
Added: October 20, 2025
Zhukov V., Eugenio V. Chulkov, Philosophical Magazine 2025 Vol. 105 No. 18 P. 1114–1138
The electronic band structure and thermoelectric properties of the NaCoO2 and LaCoO3 cobaltites have been studied by the PAW method. The thermoelectric characteristics were calculated on the basis of Boltzmann–Onsager theory taking into account electron scattering by optical phonons, and the thermal conductivity coefficient was calculated using the Slack approximation. For LaCoO3 with electronic conductivity, in accordance with ...
Added: September 24, 2025
Zhukov V. P., Chulkov E., Physica B: Condensed Matter 2024 Vol. 695 Article 416529
Ab initio calculations of the electronic structure and thermoelectric characteristics of low- and high-temperature phases of tin selenide, SnSe, with electronic and hole conductivity have been performed. It is shown that the calculations of thermoelectric properties on the basis of the Boltzmann-Onzager theory with consideration of carrier scattering on optical phonons lead to results in good agreement with experimental data. At temperatures below ...
Added: September 24, 2025
T. V. Pavlova, Journal of Chemical Physics 2025 Vol. 162 No. 19 P. 194701–194701
The precise incorporation of a phosphorus atom into a silicon surface is essential for the fabrication of nanoelectronic devices in which the active area is formed from single impurities. The most accurate approach employs scanning tunneling microscopy lithography, which may be done with atomic precision. However, the accuracy decreases when phosphorus is incorporated into the ...
Added: June 27, 2025