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Simultaneous enhancement of thermoelectric performance and mechanical properties in lead-free cubic GeTe-based composite materials
Journal of Materials Chemistry A. 2025. Vol. 13. No. 41. P. 35284–35291.
GeTe is a promising mid-temperature thermoelectric material that exhibits excellent thermoelectric performance. However, the rhombohedral-to-cubic phase transition occurring near 700 K causes a change in the coefficient of thermal expansion, leading to internal stresses in the device and affecting its working efficiency. In this work, we reported the alloying of Ge0.81Mn0.15Bi0.04Te with AgSbTe2 to further reduce the phase transition temperature and optimize thermoelectric performance. The co-doping of Ag and Mn increased the effective mass of the density of states, resulting in an enhancement of the Seebeck coefficient. Moreover, the lattice thermal conductivity decreased due to the combined effects of various phonon scattering mechanisms. After alloying with AgSbTe2, the average ZTave value increased to 1.18 from 300 K to 773 K in cubic (Ge0.81Mn0.15Bi0.04Te)0.8(AgSbTe2)0.2 and, simultaneously, the Vickers microhardness was enhanced from 243 HV to 283 HV.
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
Yurova P., Stenina I., Yaroslavtsev A. B., Membranes and Membrane Technologies 2026 Vol. 8 No. 1 P. 1–8
In this work, the effect of applying layers of polyethyleneimines with different molecular weights
(1300 and 25000 Da), polystyrene sulfonic acid or sodium polyacrylate on the surface of the heterogeneous
membrane MK-40 on the selectivity to singly charged ions was investigated. It is shown that the modification
leads to an increase in the selectivity coefficients P(Na+/Ca2+) and P(Li+/Mg2+), ...
Added: September 24, 2026
Kryzhanovskaya N., Makhov I., Dragunova A., St. Petersburg Polytechnical University Journal: Physics and Mathematics 2026 Vol. 19 No. 1.1 P. 98–104
The planar microcavity structure was grown using molecular-beam epitaxy.
Single-mode lasing was observed at a wavelength of 960 nm for pillars with a diameter of
15 μm. At 300 K, the lasing threshold was approximately 30 mW. Increasing the pump
power to 2.7 times the threshold power resulted in a mode energy shift of approximately
1 meV. This shift ...
Added: September 23, 2026
Andreeva S., Gavrilov A. A., Dzhikirba K. R. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 134515
We examine plasma excitations with linear dispersion in a system of superconducting electrons in thin
NbN disks. Using frequency-domain terahertz spectroscopy, we study the evolution of plasmons up to critical
temperature Tc. The observed excitations tend to shift to the lower frequencies while temperature is increasing
and the spectral features vanish at T > Tc. We study the ...
Added: September 23, 2026
Образцова А. А., Ivanov K., Moiseev E. et al., Journal of Physics D: Applied Physics 2026 Vol. 59 No. 30 P. 305103
We demonstrate a thermo-optically tunable microlaser based on an InGaAs/GaAs quantum-dot (QD) active region employing a deformed limaçon-shaped cavity. The asymmetric geometry effectively lifts the degeneracy of high-Q whispering-gallery modes, enabling single-mode lasing. A side-mode suppression ratio exceeds 25 dB over a wide current range. Under continuous-wave electrical pumping, the device achieves a peak output power ...
Added: September 23, 2026
Budkov Y., Journal of Chemical Physics 2026 Vol. 165 No. 12 Article 124105
Exact theories of electrolyte structure must satisfy the nonlocal constraints imposed by electrostatic screening, yet these constraints are most commonly formulated only for homogeneous bulk systems and at the level of two-point correlations. Here, we develop a unified field-theoretic framework that extends them to general inhomogeneous ionic fluids and nonlinear charge correlations. Using a standard ...
Added: September 22, 2026
Боровицкая И. В., Пименов В. Н., Коршунов С. Н. et al., Перспективные материалы 2026 № 10 С. 37–54
Проведено сравнение, обобщение и систематизация механизмов эрозии и разрушения
поверхности малоактивируемых материалов, перспективных для использования в
качестве материалов вакуумной камеры термоядерных реакторов: ванадия, его сплава
V – 10 Ti – 6 Cr – 0,05 Zr – 0,1 Si и вольфрама при последовательном воздействии на
них ионных и тепловых потоков. Тепловые потоки имитировали с помощью мощного
импульсного лазерного излучения (ЛИ), создаваемого ...
Added: September 22, 2026
Son A. G., Gushina V. A., Teplyakov E. A. et al., Physical Chemistry Chemical Physics 2026 Vol. 28 No. 33 P. 20162–20176
We report tunable structural and optical properties of Cs‑Pb‑Br nanomaterials, including the classic CsPbBr3 perovskite, and perovskite-inspired CsPb2Br5 and Cs4PbBr6 compounds. By systematically varying precursor composition, reaction conditions, and external stimuli, such as moisture and solvents, we achieve controlled formation and reversible phase transitions among these structures. Optical spectroscopy, combined with density functional theory, reveals ...
Added: July 31, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Fortuna A. S., A.I. Kartsev, Gorshenkov M. V. et al., Journal of Alloys and Compounds 2026 Vol. 1070 Article 188711
The τ-phase in Mn-Al-Ga alloys is a promising candidate for rare-earth-free permanent magnets. This study re-veals that the τ(γ₂)-phase in rapidly quenched Mn55Al36Ga9 ribbons contains a high density of dislocations, which
form antiphase boundaries (APBs). Using transmission electron microscopy and density functional theory, we
demonstrate that Mn atoms at these APBs couple antiferromagnetically. This antiferromagnetic interaction is
identified ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Dikhtievskaya K., Argunov E., Alexey I. Kartsev et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 4999–5004
In this study we revealed the effect of scandium doping on the electronic and superconducting properties of the MgB2 compound. Calculations demonstrate that Sc substitutes for Mg atoms, acting as an electron donor. Mg substitution diminishes the density of states in the σ-band and attenuates the electron–phonon coupling, thereby elucidating the reduction in critical temperature. Simultaneously, ...
Added: June 2, 2026
T.V. Pavlova, Shevlyuga V. M., Applied Surface Science 2026 Vol. 736 Article 166813
The objective of miniaturizing doped areas in silicon, with the ultimate goal of achieving atomic-precision doping, requires a fundamental understanding of the dopant incorporation process at the atomic level. We present a combined scanning tunneling microscopy (STM) and density functional theory (DFT) investigation of single phosphorus atom incorporation into the Si(100) surface. Phosphorus was supplied ...
Added: May 19, 2026
Paul R., Das A., Sharma N. et al., Colloids and Surfaces A: Physicochemical and Engineering Aspects 2026 Vol. 728 Article 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
Kartsev A., Сафронов А. А., Радиотехника и электроника 2024 Т. 69 № 10 С. 989–995
The first-principle modeling of two different quasi-two-dimensional phases based on the volume phases Cr2Te3 and CrTe3 is carried out. Structural relaxation of the obtained 2D compounds and their volumetric prototypes was performed within the framework of the density functional method and the projection plane wave method. Magnetic anisotropy in various crystallographic planes of quasi-two-dimensional structures and corresponding ...
Added: March 17, 2026
Zaman N., Li Y., Zheng T. et al., Journal of Materials Chemistry A 2026 Vol. 14 No. 25 P. 15971–15983
Interface engineering plays a critical role in determining the performance of lead sulfide (PbS) colloidal quantum dot (CQD) solar cells. Defects and surface states at the PbS–electron transport layer (ETL) interface critically govern charge extraction and recombination processes. ZnMgO nanoparticles are widely employed as ETLs due to their high electron mobility and facile synthesis; however, ...
Added: March 1, 2026
Low-rank matrix and tensor approximations for compression of machine-learning interatomic potentials
Vorotnikov I., Romashov F., Rybin N. et al., Journal of Chemical Physics 2025 Vol. 163 No. 24 Article 244112
Machine-learning interatomic potentials (MLIPs) have become a mainstay in computationally guided materials science, surpassing traditional force fields due to their flexible functional form and superior accuracy in reproducing physical properties of materials. This flexibility is achieved through mathematically rigorous basis sets that describe interatomic interactions within a local atomic environment. The number of parameters in ...
Added: January 4, 2026
Tissen M., Kushchuk L., Bagzhanov D. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 2 P. 466–475
Recently, there has been a lot of interest in two-dimensional materials with intrinsic magnetism as potential platforms for the next generation of spintronic devices. Structural defects, that is, point atomic defects in the crystal structure, play a significant role in modulating the electronic and magnetic properties of two-dimensional materials. To gain a better understanding of ...
Added: January 2, 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