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Inorganics

Inorganics is an international, peer-reviewed, open access journal on inorganic chemistry, published monthly online by MDPI.

Quartile Ranking JCR - Q2 (Chemistry, Inorganic and Nuclear)

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All Articles (2,233)

Two-dimensional (2D) Ruddlesden–Popper (RP) tin halide perovskites have attracted considerable attention as lead-free photovoltaic absorbers; however, the impact of organic A-site cations on their structure and pressure-dependent optoelectronic behavior remains underexplored. In this study, density functional theory (DFT) is used to investigate the structural, electronic, and optical properties of A2SnI4 (A = GUA+, DMA+, MA+) under ambient conditions and under hydrostatic pressure. All three compounds adopt layered frameworks in which the organic cations occupy the interlayer region, while SnI6 octahedra form the inorganic slabs. Band-gap calculations are performed using HSE06 for ambient pressure, known for its accuracy in electronic structure predictions, and PBE for pressure simulations, due to its computational efficiency in large-scale systems. At ambient pressure, Hybrid-functional (HSE06) calculations indicate that all three materials are direct-gap semiconductors, with band gaps of 2.25 eV for MA2SnI4, 2.98 eV for DMA2SnI4, and 2.85 eV for GUA2SnI4. Under hydrostatic compression, DMA2SnI4 shows comparatively modest band-gap variation and saturates near 1.7 eV. In contrast, GUA2SnI4 and MA2SnI4 exhibit pronounced band-gap narrowing, including a pressure-induced direct-to-indirect transition near 2 GPa, with band gaps decreasing to 0.59 eV (GUA2SnI4) and 0.34 eV (MA2SnI4) at elevated pressures. Overall, these findings highlight that A-site chemistry, combined with hydrostatic pressure, enables tuning the electronic and optical responses in tin-based 2D RP perovskites, demonstrating their promise as tunable, lead-free photovoltaic absorbers.

28 February 2026

Crystal structures of the X2SnI4 materials: (A) GUA2SnI4, (B) DMA2SnI4, and (C) MA2SnI4.

Research Progress on Cathode Materials for Sodium-Ion Batteries

  • Ran Li,
  • Haiyang Pan and
  • Yanling Lv
  • + 1 author

Sodium-ion batteries (SIBs) are regarded as an important complementary technology to lithium-ion batteries due to their abundant resources and low cost, demonstrating broad application prospects, especially in large-scale energy storage. As a core component of SIBs, the cathode material directly determines key performance indicators such as energy density, cycling stability, and rate capability. Currently, the main cathode material systems under extensive research include transition metal oxides, polyanionic compounds, and Prussian blue analogues (PBAs), each exhibiting distinct characteristics in terms of crystal structure and electrochemical performance. Transition metal oxides have attracted significant research interest owing to their high specific capacity, while polyanionic compounds are known for their excellent structural stability and operating voltage. PBAs, on the other hand, have gained considerable attention due to their open framework structure and simple synthesis process. In recent years, modification strategies such as nanostructure engineering, surface coating, and elemental doping have significantly enhanced the electrochemical performance of these cathode materials. Future research should focus on addressing critical scientific challenges, including low intrinsic electronic conductivity and poor interfacial stability, while also exploring novel composite cathode material systems to facilitate the practical application of sodium-ion batteries.

27 February 2026

Schematic illustration of typical crystal structures of NaxTMO2 for (A) P2, (B) O2, (C) OP4, (D) O3, (E) P3 phase. The purple, yellow, and red spheres represent transition metals, Na+, and O2, respectively [19].

The versatile surface reconstruction mechanisms, tunable surface properties, and exceptional electron emission characteristics of SrTiO3 films have garnered significant research interest. In this study, SrTiO3 films were synthesized on n-Si(100) substrates via radio frequency magnetron sputtering. To evaluate the impact of thermal annealing, the as-deposited films underwent post-deposition annealing in an oxygen ambient at 600 °C, 800 °C, and 1000 °C for a duration of 2 h each. The structural, chemical, and secondary electron emission (SEE) characteristics of the SrTiO3 films were characterized as a function of their high thermal process. Post-deposition annealing induced a significant improvement in crystallinity, which directly correlated with a heightened SEE yield (SEY). Furthermore, composition analysis revealed a marked stoichiometric reconfiguration at the surface, with the Sr:Ti:O ratio evolving from 1:0.32:1.14 to 1:0.22:0.94, suggesting a move toward an Sr-O terminated surface. The Sr-O terminated surface inherent to these SrTiO3 films promotes efficient electron escape due to its reduced work function. Following a 1000 °C annealing process, the peak SEY undergoes a significant shift from 2.11 to 2.76, representing a thermal optimization of the SEE performance by approximately 30.8%. High-temperature annealing enhances the SEE performance of SrTiO3 films, validating their significant potential for electron multiplication applications. This study provides a scalable pathway for developing highly efficient SEE materials with optimized crystalline and surface properties.

27 February 2026

FESEM images of STO thin film on n-Si substrates: (a) as-deposited (unannealed) and (b) annealed. The inset in the upper right corner of (a,b), confirm a thickness reduction from 178.6 nm (as-deposited) to 163.8 nm (post-annealing).

The degradation of aquatic pollutants using eco-friendly and non-toxic photocatalytic materials is a pivotal strategy for water pollution remediation. However, single-component photocatalysts typically suffer from low photocatalytic efficiency due to limited light absorption spectra and rapid recombination of photogenerated charge carriers. This study reports a novel and facile one-step mixing strategy for realizing triple synergistic modifications: heterostructured composite construction, specific surface area regulation, and efficient photogenerated electron–hole pair separation of Bi2MoO6 (BMO) via composite enhancement with low-cost and intrinsically green g-C3N4 (CN), which avoids the high cost, complex processes, and potential pollution risks of precious metal/heavy metal modification for BMO. Under visible-light irradiation, the BMO composite modified with 15 wt% CN achieved a dye removal rate of 85.1% within 60 min, representing a 1.6-fold enhancement in photocatalytic performance compared with that achieved using pristine BMO. We further clarify the unique photocatalytic mechanism of the CN/BMO heterojunction via radical quenching experiments, identifying photogenerated holes (h+) and superoxide radicals (·O2) as the dominant active species for Rhodamine B (RhB) degradation. This study systematically demonstrates a scalable photocatalyst preparation method that integrates controllable specific surface area, rational heterostructure construction, and simple operation, and we provide an in-depth investigation into the photocatalytic reaction process and underlying synergistic enhancement mechanism. The proposed non-metallic modification route provides a new theoretical and experimental basis for the design of high-efficiency BMO-based photocatalysts, and the as-prepared CN/BMO composite holds great potential for practical application in sustainable solar-driven water purification.

27 February 2026

SEM images of (a) CN, (b) BMO, and (c) 15% CN/BMO; TEM images of (d) CN, (e) BMO, and (f) 15% CN/BMO; and HRTEM images of (g) 15% CN/BMO.

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Inorganics - ISSN 2304-6740