Photoluminescence enhancement for blue-green emission in copper-alloyed lead-free cesium halide single crystals

Recently, metal halides have received extensive attention because of the superior photophysical characteristics. Regardless of the superiority, the limited stability against heat and moisture and the toxicity problem of heavy lead metal are obstacles to the realization of wide range applications. In this case, it is necessary to develop eco-friendly alternatives, which could simultaneously maintain the excellent optoelectronic properties of lead materials. In this paper, the synthesis of lead-free one-dimensional Cs 2 AgBr 3 and Cu(I)-alloyed Cs 2 AgBr 3 single crystals (SCs) has been successfully realized. Experimental results demonstrated that the addition of applicable copper ions could greatly improve their luminescence intensity. A bright blue-green photoluminescence peaking at 510 nm was observed after incorporating Cu + ions into Cs 2 AgBr 3 SCs under UV irradiation. Theoretical calculation further proved that the incorporation of Cu + could effectively modulate the materials’ electronic band structure; the electronic states limited to the CuBr 4 tetrahedron presented a strong localized property, which was beneficial to increase the photoluminescence efficiency. In addition, the SCs displayed favorable structure stability proofing moisture and oxygen under ambient conditions, proving that this material has good prospects for the development of optoelectronic fields.