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STM and DFT Study of Chlorine Adsorption on the Ag(111)- p (4x4)-O Surface
Journal of Physical Chemistry C. 2018. Vol. 122. No. 50. P. 28862–28867.
In press
Coadsorption of chlorine and oxygen on the Ag(111) surface has been studied with low-temperature scanning tunneling microscopy in combination with density functional theory calculations. Room-temperature adsorption of chlorine onto the Ag(111)-p(4 X 4)-O surface leads to the appearance of new bright objects located between protrusions of the 4 X 4 reconstruction. As chlorine adsorbs, objects form "rosettes" around corner holes. This configuration coincides with the configuration of the chlorine atoms in the Ag(111)-(3 X 3) Cl reconstruction structure. We conclude that the adsorption of chlorine on the Ag(111)-p(4 x 4)-O surface occurs dissociatively, with chlorine atoms displacing oxygen atoms from the 4-fold positions. Adsorption of chlorine at 77 K results in the formation of the mixed Cl-O species on the Ag-6 triangles of the p(4 X 4) reconstruction. Both scenarios of chlorine adsorption are unexpected and cannot be explained within a commonly accepted Ag-6 model of the p(4 X 4) reconstruction.
A. V. Pereskokov, Journal of Mathematical Sciences 2026 Vol. 302 No. 4 P. 531–545
We consider the Zeeman effect problem for the hydrogen atom in a magnetic field using
irreducible representations of the Karasev–Novikova algebra with quadratic commutation
relations. We find the asymptotics of a series of eigenvalues and the corresponding
asymptotic eigenfunctions near the upper boundaries of spectral clusters. ...
Added: October 1, 2026
Obraztsova Anna, Fominykh Nikita, Komarov Sergey et al., Applied Physics Letters 2026 Vol. 129 Article 132110
Miniaturization of edge-emitting quantum-dot lasers is hampered by increased mirror losses in ultra-short Fabry–Perot cavities and limited modal gain of quantum dots (QDs). Here, we demonstrate electrically injected InGaAs/GaAs quantum-dot stripe lasers with an 8-lm stripe width and focused-ion-beam (FIB)-etched mirrors defining cavity lengths from 300 to 77 lm. The laser cavities were fabricated using ...
Added: September 30, 2026
Melnikov I., Pelinovsky E., Доклады Российской академии наук. Физика, технические науки (ранее - Доклады Академии Наук. Физика) 2026 Т. 529 С. 29–36
Conditions for the emergence of pyramidal solitary waves (solitary waves possessing more than two inflection points) are presented for a family of generalized Korteweg – de Vries (KdV) equations. For the generalized Gardner equation, it is shown that pyramidal solitons are unstable. The decay of initial perturbations close to pyramidal solitary waves is demonstrated numerically. ...
Added: September 29, 2026
Kartsev A., Васильев Д. А., Kushchuk L. et al., Materials Today Communications 2026
Amorphous carbon coatings, including diamond-like carbon (DLC), exhibit a wide range of structural and mechanical properties governed by the local bonding topology (the sp2/sp3 ratio), as well as by deposition conditions and substrate material. Recently, machine-learning interatomic potentials trained predominantly on density functional theory (DFT) reference data have significantly advanced multiscale modeling of amorphous carbon ...
Added: September 28, 2026
The Search of the Process e+e−→(ω, ρ)→ηe+e− at 680–820 MeV c.m. Energy Range with the CMD-3 Detector
A. K. Narvatkina, Physics of Atomic Nuclei 2025 Vol. 88 No. 4 P. 386–393
We report a search for the rare Dalitz decays ω → ηe+e− and ρ → ηe+e− using data from the CMD-3 detector at the VEPP-2000 e+e− collider. These decays probe the electromagnetic structure of vector mesons and test the Vector Dominance Model (VDM) in low-energy QCD. A blind analysis technique, combined with kinematic constraints and ...
Added: September 28, 2026
Fominykh N., Stegailov V., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 115132
The enigmatic puzzle of the Verwey transition in magnetite Fe3O4 has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combining kinetic Monte Carlo and molecular dynamics calculations to directly describe the coupling of polarons with lattice vibrations. Contrary to the Ihle-Lorenz small-polaron model, we find no significant ...
Added: September 28, 2026
Piliugin L., Antropov A., Lobashev E. et al., Journal of Nuclear Materials 2026 Vol. 632 Article 156876
The effects of dislocations on the mobility of gas nanobubbles pinned to them are considered as novel unex- plored mechanisms of accelerated fission gas release and investigated using classical molecular dynamics of helium bubbles in FCC aluminum. Non-equilibrium methods are developed to calculate the mobility of a pinned bubble both along and across the dislocation ...
Added: September 28, 2026
Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73
We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...
Added: September 28, 2026
Teregulov T., Loubenets E. R., / Series Quantum Physics "arXiv". 2026. No. 2609.31472.
We develop a new three-party quantum secret-sharing (QSS) protocol based on a three-qubit W state. This protocol encodes the secret-sequence bits using X gates and employs randomly selected Hadamard operations and measurement bases to generate information and security-test rounds. We evaluate the efficiency of the proposed protocol and analyze its security against an internal adversary ...
Added: September 28, 2026
Щербинин С. А., Корзникова Е. А., Дмитриев С. В. et al., Physics Letters A 2026 Vol. 591 Article 131884
In this work, a simple genetic algorithm (GA) is used to find and characterize different QBs in a 𝛽-FPUT chain. By considering the space of initial particle displacements as a global optimization landscape, GA maximizes the energy localization function by automatically evolving candidate states toward highly localized long-lived solutions without a priori symmetry assumptions. 200 ...
Added: September 28, 2026
Vergeles S. S., Vointsev I., Physics of Fluids 2026 Vol. 38 P. 024117-1–024117-8
We analytically consider the problem of the Langmuir instability. The instability describes emergence of transverse modulation of horizontal current with vertical shear, when it is superimposed on surface wave co-directional with the flow. Compared to the Craik–Leibovich scheme, we account for the scattering of surface wave on the modulated current, which is significant if the ...
Added: September 26, 2026
Frolov N. Y., Klokov A. Y., Sharkov A. I. et al., Applied Physics Letters 2026 Vol. 128 P. 092201-1–092201-5
Understanding the properties of two-dimensional material interfaces with the substrate is necessary for device applications. Surface acoustic wave propagation through a layered material flake on a substrate could provide unique information on the transverse rigidity of the flake-to-substrate interaction. Ultrasonic waves were generated by a focused femtosecond laser pulse at the surface of a model ...
Added: September 26, 2026
Gureev M., Advanced Science 2026 P. 1–13
Targeted protein degradation represents a promising therapeutic strategy, yet its broader application is often limited by the scarcity of usable E3 ligases. Glutathione peroxidase 4 (GPX4) is a key target for inducing ferroptosis, but achieving sustained and potent inhibition remains challenging with conventional enzymatic inhibitors. Herein, we report the first small‐molecule GPX4 degraders that incorporate ...
Added: September 26, 2026
Войтович В. И., Makhov I., Мельниченко И. А. et al., Optics Letters 2026 Vol. 51 No. 17 P. 4872–4875
The influence of cavity surface passivation with SiO2 coating deposited by the plasma-enhanced chemical vapor deposition technique is investigated for injection microdisk lasers with an InGaAsN/GaAs quantum well active region. The electroluminescence spectra of the microdisk lasers with cavity diameters ranging from 12 to 32 μm with and without sidewall surface passivation were studied for a ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Оптика и спектроскопия 2026 Т. 134 № 3 С. 272–277
Представлены результаты по реализации генерации при повышенных температурах в лазерах с длиной волны генерации 980 nm на основе вертикального микрорезонатора с использованием непоглощающих на длине волны оптической накачки зеркал. Минимальная пороговая мощность накачки составила ~0.8 mW и соответствовала температуре 150 K. Добротность микрорезонатора, определенная на пороге генерации, превысила 13000. Максимальная рабочая температура микролазера составила 195 ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Письма в Журнал технической физики 2026 Т. 52 № 12 С. 40–43
Реализована одночастотная генерация при 300 K в лазерах на основе вертикального микрорезонатора. Для лазеров с полупроводниковым выводным зеркалом пороговая плотность мощности накачки составила 6.5 kW/cm2. Добротность микрорезонатора и длина волны излучения, определенные на пороге генерации, равнялись 8800 и ~ 959.8 nm. Применение конструкции микрорезонатора с гибридным выводным зеркалом позволило повысить добротность микрорезонатора (до 12 360) ...
Added: September 25, 2026
Бабичев А. В., Makhov I., Kryzhanovskaya N. et al., Письма в Журнал технической физики 2026 Т. 52 № 18 С. 30–34
Представлены результаты реализации генерации при комнатной температуре в планарных вертикальных микрорезонаторах на основе зеркал Al0.2Ga0.8As/Al0.9Ga0.1As. При 300 K пороговая плотность мощности и добротность на пороге генерации составили 11.4± 0.7 kW/cm2 и 5070± 160 соответственно. Двукратное превышение порога генерации привело к увеличению добротности микрорезонатора до 19 000. Эффективный латеральный теплоотвод подтвержден малым сдвигом энергии кванта, который составил ...
Added: September 25, 2026
Budkov Y., Kiselev M. G., Journal of Chemical Physics 2026 Vol. 165 No. 12 Article 124508
We develop a three-mode statistical-mechanical theory for a two-conformer
solute in a near-critical solvent. A compressible lattice model with
vacancies yields the Gaussian free-energy functional for a critical conserved
density, an orthogonal noncritical conserved mode, and the local conformer
fraction. Their couplings follow from packing and cohesive interactions,
rather than being introduced phenomenologically. Kawasaki transport of the
two conserved fields and ...
Added: September 24, 2026
B.V. Andryushechkin, Павлова Т. В., В.М. Ш. et al., Physical Chemistry Chemical Physics 2026 Vol. 28 No. 1 P. 47–51
The early stage of molecular oxygen adsorption on the Ag(100) surface was reexamined with scanning tunneling microscopy (STM) and density functional theory. Using an oxygen-functionalized STM tip, we demonstrated that the simple interpretation of the individual objects randomly distributed over the surface as chemisorbed oxygen atoms is incompatible with the cross-shaped structures observed in atomic-resolution ...
Added: February 17, 2026
B. V. Andryushechkin, Pavlova T. V., Shevlyuga V. M. et al., Physics of Wave Phenomena 2025 Vol. 33 No. 6 P. 424–433
Adsorption of molecular oxygen on the Ag(111) surface at room temperature has been studied using scanning tunneling microscopy (STM), Auger-electron spectroscopy (AES), temperature programmed desorption (TPD), and density functional theory (DFT). In the early stage of adsorption, the STM images show formation of a disordered phase in the form of dark spots (local oxide (Ag6O6) ...
Added: February 17, 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
I. N. Senchikhin, Konarev P. V., Volkov V. V. et al., Journal of Chemical Physics 2025 Vol. 162 No. 9 Article 094307
The behavior of silver nitrate in non-aqueous liquid oligomeric media—aromatic and aliphatic diglycidyl ethers and aliphatic diamine—hasbeen investigated. By employing UV–visible spectrophotometry and dynamic light scattering, it has been shown that in diglycidyl oligomers,regardless of the nature of the monomeric unit, the formation of silver nanoparticles occurs, and the kinetics of this process has been ...
Added: March 10, 2025
B. V. Andryushechkin, Loginov B. A., Physics of Wave Phenomena 2023 Vol. 31 No. 2 P. 67–73
Structural transformations under chlorine adsorption on the Ag(100) surface have been studied with scanning tunneling microscopy (STM) and within the density functional theory (DFT) calculations. The DFT method reveals that the preferable adsorption site of chlorine atoms is the fourfold hollow position. The STM technique is used to study the disorder-order structural phase transition occurring ...
Added: March 24, 2024
B. V. Andryushechkin, Pavlova T. V., Shevlyugaa V. M., Physical Chemistry Chemical Physics 2024 Vol. 26 No. 2 P. 1322–1327
The atomic structure of the Ag(111)-p(4 × 4)-O phase was reexamined with scanning tunneling microscopy (STM) and density functional theory. We discovered two different phases with the same (4 × 4) periodicity and demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images. Using bias dependencies of the STM images, we have shown ...
Added: March 24, 2024