A broadband NIR luminescence material BaZrGe₃O₉:Cr³⁺ was designed, the crystal field parameters and Huang–Rhys factor were calculated to evaluate the luminescence. The potential application for NIR pc-LED was demonstrated.

The mechanism of the heterogeneous nucleation of NbC on TiC precipitates was investigated systematically in this paper. The interfacial properties of NbC (100)/TiC (100), NbC (110)/TiC (110), and NbC (111)/TiC (111) interfaces were studied by first-principles calculations. The results showed that the NbC (111)/TiC (111) interface with the Nb–C bond is the most stable one, and the stability of interfaces with the C–Ti, Nb–Ti, and C–C bonds decreases in turn. The interface of the Nb/C-terminated and Third Layer (TL) stacking sequence (NCTL) has the largest adhesion work (10.15 J/m²) and the smallest equilibrium interface spacing (1.290 Å). In the range of low niobium (Nb) chemical potential and high carbon (C) chemical potential, the nucleation of NbC on TiC precipitates takes precedence over the epitaxy growth in the coherent relationship of ${\left[1\overline{1}0\right]\left(111\right)}_{\mathrm{NbC}}//{\left[1\overline{1}0\right]\left(111\right)}_{\mathrm{TiC}}$ , while the nucleation of NbC on TiC precipitates is prior to the epitaxy growth in the coherent relationship of ${\left[001\right]\left(100\right)}_{\mathrm{NbC}}//{\left[001\right]\left(100\right)}_{\mathrm{TiC}}$ in the range of high niobium (Nb) chemical potential and low carbon (C) chemical potential. Besides, the characteristics of heterogeneous nucleation precipitates in Nb–Ti microalloyed steels were analyzed by transmission electron microscopy (TEM). The orientation relationship between the (Ti, Nb) C and (Nb, Ti) C precipitates follows ${\left[1\overline{1}0\right]\left(111\right)}_{(\mathrm{Nb}, \mathrm{TiC})}//{\left[1\overline{1}0\right]\left(111\right)}_{(\mathrm{Ti}, \mathrm{Nb})\mathrm{C}}$ , which is consistent with the calculated result.

Multi-band emission luminescence materials are of great significance owing to their extensive application in diverse fields. In this research, we successfully prepared a series of Pr³⁺-doped Ca₃Al₂O₆ multi-band emission phosphors via a high-temperature solid-state method. The phase structure, morphology, luminescence spectra and decay curves were investigated in detail. The Ca₃Al₂O₆:Pr³⁺ phosphors can absorb blue lights and emit lights in the 450–750 nm region, and typical emission bands are located at 488 nm (blue), 525–550 nm (green), 611–614 nm (red), 648 nm (red) and 733 nm (deep red). The influence of the Pr³⁺ doping concentration was discussed, and the optimal Pr³⁺ doping concentration was determined. The impacts of charge compensator ions (Li⁺, Na⁺, and K⁺) on the luminescence of Pr³⁺ were also investigated, and it was found that all the charge compensator ions contributed positively to the emission intensity. More importantly, the emission intensity of the as-prepared phosphors at 423 K can still maintain 65–70% of that at room temperature, and the potential application for pc-LED was investigated. The interesting results indicate that the prepared phosphors may serve multifunctional and advanced applications.

The development of highly sensitive gas sensors for toxic industrial gases (TIGs) is paramount for environmental monitoring and public safety. Here, the first-principles calculations were employed to systematically investigate the potential of Pt- and Rh-decorated InS (Pt-InS and Rh-InS) monolayers as advanced gas sensing materials for the five TIGs (SO₂, NH₃, NO, CO, and NO₂). The results reveal that Pt and Rh atoms can be stably anchored at the InS monolayer, inducing significant modulation of its electronic properties. The Pt-InS system exhibits strong chemisorption of NH₃ and CO, while the other TIGs interact via physisorption. In contrast, the Rh-InS monolayer demonstrates strong chemisorption and distinct electronic responses to all five gases, driven by robust hybridization between the Rh-d and TIG-p orbitals. Based on comprehensive analyses of sensitivity and recovery time, Rh-InS is identified as a theoretically promising candidate for a reusable SO₂ sensor at room temperature, boasting a calculated rapid theoretical recovery time of 2.20 s. The Pt-InS system, conversely, shows potential for high-temperature NH₃ sensing. Our findings highlight the exceptional and tunable gas sensing capabilities of Pt- and Rh-decorated InS monolayers, offering a theoretical foundation for designing InS-based sensing devices.

The phosphors with persistent luminescence in the NIR (near-infrared) region and the NIR-to-NIR Stokes luminescence properties have received considerable attention owing to their inclusive application prospects in the in vivo imaging field. In this paper, Nd³⁺ doped SrSnO₃ phosphors with remarkable NIR emission performance were prepared using a high temperature solid state reaction method; the phase structure, morphology, and luminescence properties were discussed systematically. The SrSnO₃ host exhibits broadband NIR emission (800–1300 nm) with absorptions in the near ultraviolet region. Nd³⁺ ions emerge excellent NIR-to-NIR Stokes luminescence under 808 nm laser excitation, with maximum emission at around ~1068 nm. The concentration-dependent luminescence properties, temperature dependent emission, and the luminescence decay curves of Nd³⁺ in the SrSnO₃ host were also studied. The Nd³⁺ doped SrSnO₃ phosphors exhibit exceptional thermal stability; the integrated emission intensity can retain approximately 66% at 423 K compared to room temperature. Most importantly, NIR persistent luminescence also can be observed for the SrSnO₃:Nd³⁺ samples, which is in the first and second biological windows. A possible mechanism was proposed for the persistent NIR luminescence of Nd³⁺ based on the thermo-luminescence spectra. Consequently, the exciting results indicate that multifunctional NIR luminescence has been successfully realized in the SrSnO₃:Nd³⁺ phosphors.