National Institute Of Materials Physics - Romania

This study explores the development of highly sensitive hydrogen sulfide (H2S) gas sensors employing hierarchical aluminum-doped zinc oxide (AZO) nanostructures. Vertically oriented AZO nanoplatelets with Al/ZnO molar ratios of 4% and 6% were successfully synthesized using an automated successive ionic layer adsorption and reaction (SILAR) technique. The morphological features of the AZO films significantly changed with the Al content. The AZO thin films exhibited a polycrystalline wurtzite structure and an increase in crystallite size with increasing Al concentrations. This work demonstrates that our AZO sensor structures achieved a maximum response at 150 ppm H2S and 573 K of 23.3%, being characterized by fast response and recovery times of 28 and 464 s, respectively. Notably, the 6% AZO samples exhibited an augmented selective sensitivity to H2S, demonstrating stable detection performance. Additionally, the significant improvement in detection capabilities can be attributed to the synergistic effects of electronic and chemical sensitization. These effects enhance the formation of active sites and create doping-induced defects while providing shorter and more efficient diffusion paths for the electrons, significantly improving the sensor's sensitivity and response speed.

We model a change of the spin configuration in a two-dimensional square array, or a lateral superlattice, of quantum rings in an external perpendicular homogeneous magnetic field. The electron system is placed in a circular cylindrical far-infrared photon cavity with a single circularly symmetric photon mode. Our numerical results reveal that the spin ordering of the two-dimensional electron gas in each quantum ring can be influenced or controlled by the electron-photon coupling strength and the energy of the photons. The Coulomb interaction between the electrons is described by a spin-density functional approach, but the para- and diamagnetic electron-photon interactions are modeled via a configuration interaction formalism in a truncated many-body Fock-space, which is updated in each iteration step of the density functional approach. In the absence of external electromagnetic pulses this reordering of the spin configuration is replicated in the orbital magnetization of the rings. The change in the spin configuration can be suppressed by a strong electron-photon interaction. In addition, fluctuations in the spin configuration are found in dynamical calculations, where the system is excited by a time-dependent coupling scheme to a cylindrical cavity mode for emphasizing the diamagnetic electron-photon interaction not leading to simple electrical dipole oscillations. The diamagnetic interaction is enhanced by the rotational electric field of the particular cavity mode.

Most photocatalytic processes involve physicochemical phenomena occurring at the semiconductor-water interface. The interfacial charge transfer strongly depends on the charge carrier self-trapping or defect-based trapping mechanisms active in the crystal lattice of the photocatalyst. Thus, the crystal lattice distortion is expected to influence the photocatalytic efficiency during polymorphic phase transformations (PPT). A simple synthesis method involving the ultrasound-assisted excess hydrolysis of titanium tetra-isopropoxide (TTIP) (hydrolysis ratio (number of moles of water/number of moles of TTIP) r = 245) was used to obtain multiphase titanium dioxide (TiO2) nanomaterials with complex defect structures. Electron paramagnetic resonance (EPR) spectroscopy was employed to characterize the paramagnetic centers in the synthesized TiO2 and their behavior during incipient PPT. The calcined samples showed a complex defect structure comprising three types of paramagnetic centers: F+-centers (an electron trapped in an oxygen vacancy (Ov)), V-centers (oxygen ions with trapped holes) and paramagnetic centers involving Ti3+ such as Ti3+- Ov. The sample obtained at 600 degrees C, temperature marking the onset of a massive mixed transformation of anatase into rutile and brookite, composed of approximately 81 % anatase, 10 % brookite, and 9 % rutile, exhibited an intense and broadened EPR signal and enhanced photocatalytic activity for hydroxyl radical generation and hydrogen production by water splitting, despite its rather low specific surface area of 34 m2/g. The results revealed the synergistic effects of charge carrier trapping mechanisms in the early stages of PPT, boosting the photocatalytic performance of TiO2. The present study supports the design of facile synthesis methods for better TiO2 photocatalysts and promotes the development of further studies regarding lattice defect engineering during phase transformations in nanomaterials.

Nuclear fusion is a promising energy source. The International Thermonuclear Experimental Reactor aims to study the feasibility of tokamak-type reactors and test technologies and materials for commercial use. One major challenge is developing materials for the reactor's divertor, which supports high thermal flux. Tungsten was chosen as the plasma-facing material, while a CuCrZr alloy will be used in the cooling pipes. However, the gradient between the working temperatures of these materials requires the use of a thermal barrier interlayer between them. To this end, refractory high-entropy (CrFeTiTa)70W30 and VFeTiTaW alloys were prepared by mechanical alloying and sintering, and their thermal and irradiation resistance was evaluated. Both alloys showed phase growth after annealing at 1100 degrees C for 8 days, being more pronounced for higher temperatures (1300 degrees C and 1500 degrees C). The VFeTiTaW alloy presented greater phase growth, suggesting lower microstructural stability, however, no new phases were formed. Both (as-sintered) alloys were irradiated with Ar+ (150 keV) with a fluence of 2.4 x 1020 at/m2, as well as He+ (10 keV) and D+ (5 keV) both with a fluence of 5 x 1021 at/m2. The morphology of the surface of both samples was analyzed before and after irradiation showing no severe morphologic changes, indicating high irradiation resistance. Additionally, the VFeTiTaW alloy presented a lower deuterium retention (8.58%) when compared to (CrFeTiTa)70W30 alloy (14.41%).

Ag8SnS6 (ATS) nanoparticles, with a band gap of 1.35 eV, which is located exactly at the Schockley-Queisser optimal value for a single-junction solar cell, were utilized as a photoabsorber component in solid state photovoltaic devices. The as-made particles were capped with long aliphatic chains of oleic acid and oleylamine. After surface functionalization of the shorter and extremely basic formamidinium cations, an increase of the absorption coefficient throughout the visible spectrum range was observed. The ligand exchange led also to a slight increase of the band gap, by a value of 0.05 eV. XRD, XPS, UPS, diffuse reflectance, TEM and EDX characterization studies revealed the structure of the nanoparticles and finally proof-of-concept thin film solar cells were fabricated. A maximum photoconversion efficiency of 0.22% was achieved for the as-made particles.

Recently, spin asymmetry in O 2p related deep valence states was evidenced in SrTiO3(001) [Popescu et al., Phys. Scr. 99(10), 105925 (2024)]. In this work, we report the detection of a much higher (about four times) spin asymmetry in SrTiO3(011) by spin resolved photoelectron spectroscopy, with samples characterized also by core level x-ray photoelectron spectroscopy and low energy electron diffraction. The explanation of a so important spin asymmetry is related to the partial neutralization of O-2(4-) or SrTiO(4+) end layers. Missing electrons from O 2p states in the case of O-2 terminations enable robust atomic spins, according to Hund's rule. The parallel analysis of core level shifts for surface atoms and the amplitude of spin asymmetry suggests that 50% of the oxygens from the surface SrO layer of SrTiO3(001) have a 2p(5) configuration with an unpaired electron (the rest are in a 2p(6) configuration), while in the case of O-2 terminated SrTiO3(011), about 50% of surface oxygens have a 2p(5) configuration and 50% of surface oxygens are neutral (2p(4)), yielding a net charge per O-2 surface unit cell of (-1) instead of (-4). The magnetization is oriented along the rows formed by the (4 x 1) reconstruction in the 011 in-plane direction. (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license(https://creativecommons.org/licenses/by/4.0/).

We theoretically study the 2D Su-Schrieffer-Heeger model in the context of Floquet topological insulators (FTIs). FTIs are systems which undergo topological phase transitions, governed by Chern numbers, as a result of time reversal symmetry (TRS) breaking by a time periodic process. In our proposed model, the condition of TRS breaking is achieved by circularly polarized light irradiation. We analytically show that TRS breaking is forbidden in the absence of second order neighbors hopping. In the absence of light irradiation, we identify a symmetry-protected degeneracy and prove the appearance of a flat band along a specific direction in the momentum space. Furthermore, we employ a novel method to show that the four unit cell atoms, in the absence of irradiation, can be interpreted as conserved spin states. With the breaking of TRS via light irradiation, these spin states are no longer conserved, leading to the emergence of chiral edge states. We also show how the interplay between the TRS breaking and dimerization leads to some complex topological phase transitions. The validity of our findings is substantiated through Chern numbers, spectral properties, localization of chiral edge states and simulations of quantum Hall transport. Our model is suitable not only for condensed matter (materials), but also for cold gases trapped in optical lattices or topolectrical circuits.

When used as the active layers-either as a light absorber in photovoltaic devices or as an electroluminescent material in light-emitting devices-lead-free perovskites significantly impact the performance of optoelectronic devices. This study focuses on antimony-based perovskites, which are promising for lighting applications. These types of perovskites enable the formation of self-trapped excitons (STEs) with higher dissociation energy than lead-based perovskites, which generate excitons with lower dissociation energy. The (CH3NH3)3Sb2I9 crystals are synthesized using two methods, resulting in distinct spatial configurations - dimer and dimer/layered mixtures, each exhibiting unique structural and spectroscopic properties, as revealed by comprehensive multi-parametric complementary analyses. Their emissive properties underscore the efficiency of the STE photoluminescence, driven by electron-phonon interactions and influenced by Sb-Sb distances in (CH3NH3)3Sb2I9 powder, whether dispersed in polymethyl-methacrylate or solution. The phase transition from monoclinic to hexagonal (dimer) and trigonal (layered) structures enabled the tuning of the optical properties in direct correlation with the structural and electrical features. The photoluminescence behavior of the STEs, analyzed in conjunction with the Raman spectroscopy, elucidates the dynamic process of the electron-phonon coupling effects in the dimer (face-capping Sb-I octahedra) and layered (corner-sharing Sb-I octahedra) crystallographic structures.

A multiphase high-entropy diboride (Ti0.25Ta0.25Hf0.25Zr0.25)B2 is obtained by spark plasma sintering from a mixture of single-metal diborides. The as-prepared material at the microscale can be defined as a composite where grains of a Ta-rich/Ti-poor complex diboride phase are the reinforcement and grains of Ta-poor/Ti-rich complex diboride are the matrix. However, at the nanoscale, the grains are heterogeneous, composed of regions with a multitude of complex diboride compositions. The interface between nanoregions is compositionally graded and has an irregular shape. The four-metal diboride shows a deformation-resistant mechanism under bending load. A strengthening process is active, increasing the room temperature bending strength (326 MPa) by approximate to 50% at 1800 degrees C (488 MPa). A ductile behavior with a deformation strain of approximate to 7.5% is observed at 2000 degrees C while bending strength (407 MPa) is approximate to 25% above the value at room temperature. At 2000 degrees C, observation of dislocations propagating from one compositional nanoregion to another and with a different density suggests dislocation contribution, first of all, to plasticity. The peculiar heterogeneity of this material at nano- and microscales is considered the reason for the remarkable mechanical response to bending load at different temperatures.

The paper presents the features of the magnetization decay of proton-irradiated MgB2 bulk samples. Irradiation was performed with protons of energies between 8.6 and 15.07 MeV at different fluences. The creep activation energy is sensitive to the ratio between proton range and sample thickness. Experimental data show that the creep exponents are different from the theoretical predictions. When the proton range is shorter than the sample thickness (protons of 8.6 MeV), the thermomagnetic instabilities are strongly emphasized and affect the creep behavior.