Lead-Free Antimony Halide Perovskite with Heterovalent Mn²⁺ Doping

Area of Science:

• Materials Science
• Solid-State Chemistry
• Optoelectronics

Background:

• Lead halide perovskites (PVKs) face limitations due to lead toxicity.
• Antimony (Sb)-based PVKs are emerging as promising, nontoxic alternatives.
• These materials hold significant potential for optoelectronic device applications.

Purpose of the Study:

• To synthesize and characterize pure and manganese (Mn)-doped Cs3Sb2Cl9 crystals.
• To investigate the effect of Mn doping on the structural and photoluminescent properties of Cs3Sb2Cl9.
• To explore the potential of Mn-doped Sb-based PVKs for optoelectronic applications.

Main Methods:

• Facile synthesis route for pure and Mn-doped Cs3Sb2Cl9 crystals.
• Experimental characterization including photoluminescence (PL) spectroscopy.
• Theoretical analysis using density functional theory (DFT) calculations.

Main Results:

• Synthesized Cs3Sb2Cl9 crystals (pure and Mn-doped) exhibited good crystallinity and similar structures.
• Observed visible photoluminescence with emission peaks at 422 nm (host) and 613 nm (Mn-doped).
• DFT calculations confirmed Mn doping creates impurity states in the band gap, facilitating energy transfer and d-d transitions, leading to red luminescence.

Conclusions:

• Mn-doped Cs3Sb2Cl9 exhibits bright red luminescence due to energy transfer to Mn 3d states.
• The crystal structure of Cs3Sb2Cl9 is unaffected by Mn doping.
• Mn-doped Sb-based PVKs represent a viable new platform for developing nontoxic optoelectronic devices.