Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Electronic Properties and Carrier Trapping in Bi and Mn Co-doped CsPbCl₃ Perovskite.

ABSTRACT: Metal halide perovskites exhibit impressive optoelectronic properties with applications in solar cells and light-emitting diodes. Co-doping the high-band gap CsPbCl₃ perovskite with Bi and Mn enhances both material stability and luminescence, providing emission on a wide spectral range. To discuss the role of Bi³⁺ and Mn²⁺ dopants in tuning the CsPbCl₃ perovskite energy levels and their involvement in carrier trapping, we report state-of-the-art hybrid density functional theory calculations, including spin-orbit coupling. We show that co-doping the perovskite with Bi and Mn delivers essentially the sum of the electronic properties of the single dopants, with no significant interaction or the preferential mutual location of them. Furthermore, we identify the structural features and energetics of transitions of electrons trapped at Bi and holes trapped at Mn dopant ions, respectively, and discuss their possible role in determining the optical properties of the co-doped perovskite.

SUBMITTER: Ricciarelli D

PROVIDER: S-EPMC8008448 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Long-Lived Dark Exciton Emission in Mn-Doped CsPbCl3 Perovskite Nanocrystals.

Project description:The unusual temperature dependence of exciton emission decay in CsPbX3 perovskite nanocrystals (NCs) attracts considerable attention. Upon cooling, extremely short (sub-ns) lifetimes were observed and were explained by an inverted bright-dark state splitting. Here, we report temperature-dependent exciton lifetimes for CsPbCl3 NCs doped with 0-41% Mn2+. The exciton emission lifetime increases upon cooling from 300 to 75 K. Upon further cooling, a strong and fast sub-ns decay component develops. However, the decay is strongly biexponential and also a weak, slow decay component is observed with a ∼40-50 ns lifetime below 20 K. The slow component has a ∼5-10 times stronger relative intensity in Mn-doped NCs compared to that in undoped CsPbCl3 NCs. The temperature dependence of the slow component resembles that of CdSe and PbSe quantum dots with an activation energy of ∼19 meV for the dark-bright state splitting. Based on our observations, we propose an alternative explanation for the short, sub-ns exciton decay time in CsPbX3 NCs. Slow bright-dark state relaxation at cryogenic temperatures gives rise to almost exclusively bright state emission. Incorporation of Mn2+ or high magnetic fields enhances the bright-dark state relaxation and allows for the observation of the long-lived dark state emission at cryogenic temperatures.

| S-EPMC6410607 | biostudies-literature

Mono- and Co-Doped Mn-Doped CsPbCl3 Perovskites with Enhanced Doping Efficiency and Photoluminescent Performance.

Project description:To investigate the effect of Mn and other metal dopants on the photoelectronic performance of CsPbCl3 perovskites, we conducted a series of theoretical analyses. Our findings showed that after Mn mono-doping, the CsPbCl3 lattice contracted and the bonding strength increased, resulting in a more compact structure of the metal octahedral cage. The relaxation of the metal octahedral cage, along with the Jahn-Teller effect, results in a decrease in lattice strain between the octahedra and a reduction in the energy of the entire lattice due to the deformation of the metal octahedron. These three factors work together to reduce intrinsic defects and enhance the stability and electronic properties of CsPbCl3 perovskites. The solubility of the Mn dopant is significantly increased when co-doped with Ni, Fe, and Co dopants, as it compensates for the lattice strain induced by Mn. Doping CsPbCl3 perovskites reduces the band gap due to the decreased contributions of 3d orbitals from the dopants. Our analyses have revealed that strengthening the CsPbCl3 lattice and reducing intrinsic defects can result in improved stability and PL properties. Moreover, increasing Mn solubility and decreasing the bandgap can enhance the PLQY of orange luminescence in CsPbCl3 perovskites. These findings offer valuable insights for the development of effective strategies to enhance the photoelectronic properties of these materials.

| S-EPMC10456559 | biostudies-literature

Research on the photoluminescence properties of Cu2+-doped perovskite CsPbCl3 quantum dots.

Project description:CsPbX3 (X = Cl, Br, and I) quantum dots (QDs) and Cu2+-doped CsPbCl3 QDs with different Cu-to-Pb molar ratios were synthesized via a solvent-based thermal synthesis method. The photoluminescence (PL) properties of these Cu2+-doped CsPbCl3 QDs were also investigated in this study. The results showed that with the increase in the Cl- concentration the surface defects of CsPb(Cl/Br)3 QDs increased, which resulted in an increase in the non-radiative recombination of excitons and weakened the PL intensity. Moreover, Cu2+-doped CsPbCl3 QDs maintained the cubic crystal structure of the initial phases. Owing to the doping of Cu2+ ions, the surface defects of CsPbCl3 QDs were effectively eliminated, which facilitated the excitonic recombination via a radiative pathway. The PL quantum yields (PLQYs) of Cu2+-doped CsPbCl3 QDs were increased to 51%, showing great photostability. From the results, it is believed that Cu:CsPbCl3 QDs can be widely used in optoelectronic devices.

| S-EPMC8695195 | biostudies-literature

Efficient and Stable Luminescence from Mn2+ in Core and Core-Isocrystalline Shell CsPbCl3 Perovskite Nanocrystals.

Project description:There has been a growing interest in applying CsPbX3 (X = Cl, Br, I) nanocrystals (NCs) for optoelectronic application. However, research on doping of this new class of promising NCs with optically active and/or magnetic transition metal ions is still limited. Here we report a facile room temperature method for Mn2+ doping into CsPbCl3 NCs. By addition of a small amount of concentrated HCl acid to a clear solution containing Mn2+, Cs+, and Pb2+ precursors, Mn2+-doped CsPbCl3 NCs with strong orange luminescence of Mn2+ at ?600 nm are obtained. Mn2+-doped CsPbCl3 NCs show the characteristic cubic phase structure very similar to the undoped counterpart, indicating that the nucleation and growth mechanism are not significantly modified for the doping concentrations realized (0.1 at. % - 2.1 at. %). To enhance the Mn2+ emission intensity and to improve the stability of the doped NCs, isocrystalline shell growth was applied. Growth of an undoped CsPbCl3 shell greatly enhanced the emission intensity of Mn2+ and resulted in lengthening the radiative lifetime of the Mn2+ emission to 1.4 ms. The core-shell NCs also show superior thermal stability and no thermal degradation up to at least 110 °C, which is important in applications.

| S-EPMC5445715 | biostudies-literature

Mn2+/Yb3+ Codoped CsPbCl3 Perovskite Nanocrystals with Triple-Wavelength Emission for Luminescent Solar Concentrators.

Project description:Doping metal ions into lead halide perovskite nanocrystals (NCs) has attracted great attention over the past few years due to the emergence of novel properties relevant to optoelectronic applications. Here, the synthesis of Mn2+/Yb3+ codoped CsPbCl3 NCs through a hot-injection technique is reported. The resulting NCs show a unique triple-wavelength emission covering ultraviolet/blue, visible, and near-infrared regions. By optimizing the dopant concentrations, the total photoluminescence quantum yield (PL QY) of the codoped NCs can reach ≈125.3% due to quantum cutting effects. Mechanism studies reveal the efficient energy transfer processes from host NCs to Mn2+ and Yb3+ dopant ions, as well as a possible inter-dopant energy transfer from Mn2+ to Yb3+ ion centers. Owing to the high PL QYs and minimal reabsorption loss, the codoped perovskite NCs are demonstrated to be used as efficient emitters in luminescent solar concentrators, with greatly enhanced external optical efficiency compared to that of using solely Mn2+ doped CsPbCl3 NCs. This study presents a new model system for enriching doping chemistry studies and future applications of perovskite NCs.

| S-EPMC7509694 | biostudies-literature

Structural transition and magnetic properties of Mn doped Bi0.88Sm0.12FeO3 ceramics.

Project description:We investigated the effects of Mn doping on the crystal structure, phonon vibration, and magnetic properties of Bi0.88Sm0.12FeO3 ceramics. Mn doping effectively modified the rhombohedral symmetry and induced a structural transition from an R3c rhombohedral to Pnam orthorhombic structure. Magnetic measurements revealed a weak ferromagnetic behavior, which was related to the canted antiferromagnetic order of the Pnam structure. The cycloidal spin structure of the R3c phase could not be suppressed by substitution of Mn at the Fe site. Studies on the self-phase transition and electric field-induced structural transition revealed many changes in coercivity and remanent magnetization, which are believed to originate from the R3c/Pnam phase switching along with spin frustration. Observations of the field step-dependent hysteresis loop and the ferromagnetic-like hysteresis loop after poling in an electric field provided direct evidence of phase boundary (PB) ferromagnetism and magnetic coupling at the PB.

| S-EPMC9050850 | biostudies-literature

Enhancement of CO gas sensing performance by Mn-doped porous ZnSnO3 microspheres.

Project description:This work reports the synthesis of Mn-doped ZnSnO3 microspheres (Zn1-x Mn x SnO3) using a simple co-precipitation method with (x = 0 to 0.15) and characterized for structural, morphological, surface area, and sensing properties. X-ray diffraction (XRD) analysis revealed the face-centered cubic structure of Mn-doped ZnSnO3 samples. Brunauer-Emmett-Teller (BET) analysis demonstrated the variation in surface area from 15.229 m2 g-1 to 42.999 m2 g-1 with x = 0 to 0.15 in Zn1-x Mn x SnO3. XPS indicates the change in the defect levels by Mn doping, which plays a crucial role in chemical sensors. Indeed a significant increase (≈311.37%) in CO gas sensing response was observed in the x = 0.10 sample compared to pure ZnSnO3 with a simultaneous reduction in operating temperature from 250 to 200 °C. Moreover, remarkable enhancements in response/recovery times (≈6.6/34.1 s) were obtained in the x = 0.10 sample. The Mn-doped ZnSnO3 could be a promising candidate for CO gas sensing devices used for maintaining air quality.

| S-EPMC9647431 | biostudies-literature

Enhancement of photovoltage by electronic structure evolution in multiferroic Mn-doped BiFeO3 thin films.

Project description:The bulk photovoltaic effect (BPVE) is a mechanism of recent focus for novel solar cells that exceed the power conversion efficiency of p-n junction solar cells because of the quantum mechanical effect to generate photocurrent known as shift current. Ferroelectrics are receiving attention again because of their high voltage generation by the BPVE and converse piezoelectric effect to realize high performance optical actuators. We have investigated the BPVE in ferroelectric BiFeO3 (BFO) single crystal thin films, whereby the photovoltage was enhanced by Mn doping, and 852 V generation was demonstrated at 80 K. The enhancement mechanism was also investigated using soft and hard X-ray photoelectron spectroscopy (SXPES, HAXPES), and soft X-ray absorption spectroscopy with synchrotron radiation. This report reveals a way to new voltage source applications employing the BPVE for high impedance devices with ferroelectrics. Important aspects for designing ferroelectric materials by impurity doping are also discussed.

| S-EPMC7505956 | biostudies-literature

Colloidal Synthesis of Double Perovskite Cs2AgInCl6 and Mn-Doped Cs2AgInCl6 Nanocrystals.

Project description:We show here the first colloidal synthesis of double perovskite Cs2AgInCl6 nanocrystals (NCs) with a control over their size distribution. In our approach, metal carboxylate precursors and ligands (oleylamine and oleic acid) are dissolved in diphenyl ether and reacted at 105 °C with benzoyl chloride. The resulting Cs2AgInCl6 NCs exhibit the expected double perovskite crystal structure, are stable under air, and show a broad spectrum white photoluminescence (PL) with quantum yield of ?1.6 ± 1%. The optical properties of these NCs were improved by synthesizing Mn-doped Cs2AgInCl6 NCs through the simple addition of Mn-acetate to the reaction mixture. The NC products were characterized by the same double perovskite crystal structure, and Mn doping levels up to 1.5%, as confirmed by elemental analyses. The effective incorporation of Mn ions inside Cs2AgInCl6 NCs was also proved by means of electron spin resonance spectroscopy. A bright orange emission characterized our Mn-doped Cs2AgInCl6 NCs with a PL quantum yield as high as ?16 ± 4%.

| S-EPMC6284204 | biostudies-literature

CsPbCl3-Driven Low-Trap-Density Perovskite Grain Growth for >20% Solar Cell Efficiency.

Project description:Charge recombination in grain boundaries is a significant loss mechanism for perovskite (PVK) solar cells. Here, a new strategy is demonstrated to effectively passivate trap states at the grain boundaries. By introducing a thin layer of CsPbCl3 coating before the PVK deposition, a passivating layer of PbI2 is formed at the grain boundaries. It is found that at elevated temperature, Cl- ions in the CsPbCl3 may migrate into the PVK via grain boundaries, reacting with MA+ to form volatile MACl and leaving a surface layer of PbI2 at the grain boundary. Further study confirms that there is indeed a small amount of PbI2 distributed throughout the grain boundaries, resulting in increased photoluminescence intensity, increased carrier lifetime, and decreased trap state density. It is also found that the process passivates only grain surfaces, with no observable effect on the morphology of the PVK thin film. Upon optimization, the obtained PVK-film-based solar cell delivers a high efficiency of 20.09% with reduced hysteresis and excellent stability.

| S-EPMC6051377 | biostudies-literature