Black phosphorene (BP) is a glowing two-dimensional semiconducting layer material for cutting-edge microelectronics, with high carrier mobility and thickness-dependent band gap. Here, based on van der Waals (vdW)-corrected first-principles approaches, we investigated stacked BP/tin selenide (BP/SnSe) vdW heterostructure as an anode material for metal ion batteries, which exhibits a significant theoretical capacity, along with relatively durable binding strength compared to the constituent BP and SnSe monolayers. Our calculations demonstrated that the Li/Na adatom favors insertion into the interlayer region of BP/SnSe vdW heterostructure owing to synergistic interfacial effect, resulting in comparable diffusivity to the BP and SnSe monolayers. Subsequently, the theoretical specific capacities for Li/Na are found to be as high as 956.30 mAhg⁻¹ and 828.79 mAhg⁻¹, respectively, which could be attributed to the much higher storage capacity of Li/Na adatoms in the BP/SnSe vdW heterostructure. Moreover, the electronic structure calculations reveal that a large amount of charge transfer assists in semiconductor-to-metallic transition upon lithiation/sodiation, ensuring good electrical conductivity. These simulations verify that the BP/SnSe vdW heterostructure has immense potential for application in the design of metal-ion battery technologies.

Perovskite nanocrystals (PeNCs) have emerged as a promising class of luminescent materials offering size and composition-tunable luminescence with high efficiency and color purity in the visible range. PeNCs doped with Yb³⁺ ions, known for their near-infrared (NIR) emission properties, have gained significant attention due to their potential applications. However, these materials still face challenges with weak NIR electroluminescence (EL) emission and low external quantum efficiency (EQE), primarily due to undesired resonance energy transfer (RET) occurring between the host and Yb³⁺ ions, which adversely affects their emission efficiency and device performance. Herein, we report the synergistic enhancement of NIR emission in a CsPbCl₃ host through co-doping with Yb³⁺/Nd³⁺ ions for perovskite LEDs (PeLEDs). The co-doping of Yb³⁺/Nd³⁺ ions in a CsPbCl₃ host resulted in enhanced NIR emission above 1000 nm, which is highly desirable for NIR optoelectronic applications. This cooperative energy transfer between Yb³⁺ and Nd³⁺ can enhance the overall efficiency of energy conversion. Furthermore, the PeLEDs incorporating the co-doped CsPbCl₃/Yb³⁺/Nd³⁺ PeNCs as an emitting layer exhibited significantly enhanced NIR EL compared to the single doped PeLEDs. The optimized co-doped PeLEDs showed improved device performance, including increased EQE of 6.2% at 1035 nm wavelength and low turn-on voltage. Our findings highlight the potential of co-doping with Yb³⁺ and Nd³⁺ ions as a strategy for achieving synergistic enhancement of NIR emission in CsPbCl₃ perovskite materials, which could pave the way for the development of highly efficient perovskite LEDs for NIR optoelectronic applications.