Conduction Band Maximum Research Articles

Modeling temperature dependent Ni/β-Ga2O3 Schottky barrier diode interface properties

A TCAD simulator is used to model measured current–voltage characteristics of Ni/β-Ga2O3 Schottky barrier diode (SBD), deposited by E-beam evaporation, at room temperature. A good fit was obtained when the Ni workfunction, Ni/β-Ga2O3 interface traps concentrations and Si-doped β-Ga2O3 surface electron affinity variation were taken into consideration. Temperature dependent J-V characteristics were investigated and a good agreement at low voltage was obtained. However, the simulated current at high voltage (series resistance domain) was higher than measurement while both series resistance (Rs) and on-resistance (Ron) for measurements were higher than their simulations counterparts. In order to overcome this disagreement, the effect of Si-doped β-Ga2O3 surface electron affinity on the SBD at each temperature was studied. This is due to the fact that the electron affinity can be affected by trap levels located above conduction band maximum (CBM) as reported in the literature. The surface electron affinity decreased with increasing temperature because trap levels located above CBM were activated. A better agreement was achieved.

Insight into Na and Sn substitutions on structural, electronic and thermodynamic responses of Li2FeSiO4 for next generation Li+-ion based batteries: A first principles study

In this study, Li2FeSiO4 has emerged as a promising alternative cathode material for next-generation Li-ion-based batteries due to its high theoretical capacity. We used spin density functional to investigate the structural, electronic, and thermodynamic responses of the pure and doped Li16Fe8Si8O32 system. In the Li-site is substituted by Li61Na3Fe32Si32O128, Li59Na5Fe32Si32O128, Li56Na8Fe32Si32O128, and in the Si-site, Li64Fe32Si31Sn1O128, Li64 Fe32Si30Sn2O128, Li64Sn4Fe32Si28O128 atoms, employing the Perdew-Burke-Ernzerhof (PBE) with generalized gradient approximation (GGA). The introduction of dopants induces significant modifications in the lattice parameters and corresponding volumes, thereby affecting the overall structural characteristics. The computed band gaps of both systems experience a decrease in the presence of dopants, indicating an enhancement in electronic conductive responses. The calculated results show that the band gap of Na-doped can be changed from 2.66 eV to 1.94 eV, and Sn-doped can be changed from 2.66 eV to 0.89 eV, respectively. The element, partial, and total density of states investigations reveal impurity states created by the modified atoms extending to the conduction band maximum. Intriguingly, Na and Sn concentrations in the pure system contribute to modified electronic conductivity attributed to volumetric expansion, a narrowed band gap, and reduced ionic bonding. In this analysis, we have recognized four new thermodynamically stable systems within the Li–Si–Fe–O system, both pure and dopant systems complementing each other. The computational investigations presented here are expected to contribute to a deeper understanding of the doping effects on Li2FeSiO4, facilitating further advancements in cathode material design for Li-ion batteries.

Highly Efficient and Selective Visible-light Photocatalytic CO2 Reduction to CO Using a 2D Co(II)-Imidazole MOF as Cocatalyst and Ru(bpy)3 Cl2 as Photosensitizer.

The first application of an imidazole MOF, the 2D Co(II)- imidazole framework, {[Co(TIB)2 (H2 O)4 ]SO4 } (TIB stands for 1,3,5-tris(1-imidazolyl) benzene) (CoTIB) in photocatalytic CO2 reduction was carried out, and compared with that of ZIF-67. The CO2 /CoTIB (1.0 mg)/Ru(bpy)3 Cl2 (bpy=2,2'-bipyridine) (11.3 mg)/CH3 CN (40 mL)/TEOA (10 mL)/H2 O (400 μL) system produced 76.9 μmol of CO in 9 h, corresponding to the efficiency of 9.4 mmol g-1 h-1 (TOF: 7.3 h-1 ) with a >99% selectivity. Its catalytic activity is even higher than that of ZIF-67 based on TOF values. However, CoTIB is non-porous and has a very poor CO2 adsorption capacity and poor conductivity. Extensive photocatalytic experiments and energy-level diagrams suggest that the reduction did not depend on the CO2 adsorption by the cocatalyst, but can occur by the direct electron transfer from conduction-band maximum (CBM) of the cocatalyst to the zwitterionic alkylcarbonate adduct formed by the reaction of TEOA and CO2 . In addition, the process utilizes the short-lived singlet state (1 MLCT), not the long-lived triplet state (3 MLCT) of Ru(bpy)3 Cl2 to transfer electrons to the CBM of CoTIB. We found that the high efficiency of a cocatalyst, a photosensitizer, or a photocatalytic system depends on the matching of all related energy levels of the photosensitizer, the cocatalyst, CO2 , and the sacrificial agent in the reaction system.

New insights into atomic layer BiOBr quantum dot/ZnAl-LDH composites in photocatalytic water treatment: Performance and mechanism

Insufficient absorption sites and low charge separation notably limit the activation of photocatalytic molecular oxygen. In this study, atomic-layer BiOBr (BiOBr-QDs)/ZnAl-LDH composites with a considerable number of edges were developed to address the above-mentioned problems. The result of this study indicated the spatial separation of atomic-layer BiOBr-QDs/ZnAl-LDH's conduction band maximum (CBM) and valence band minimum (VBM). As a result, holes were produced on the substrate surface based on irradiation, and electrons were generated at the sites of the edge, such that ultra-fast charge separation can be carried out. The edges exposed massive adsorption sites in terms of oxygen molecules. Thus, electrons at the sites of the edge led to the reduction of absorbed oxygen molecules, thus exhibiting stronger photocatalytic •O2− production. Furthermore, the result confirmed that the atomic layer BiOBr-QDs/ZnAl-LDH are promising in environmental catalytic degradation for its increased activity of •O2− production. In this study, a novel insight into advanced photocatalyst design based on edge unsaturated ligand engineering at an atomic level is provided.

Unraveling the role of nickel functionalization in the electronic properties and structural features of 2D black phosphorene exposed to ambient conditions.

Layered black phosphorus (BP) is endowed with peculiar chemico-physical properties that make it a highly promising candidate in the field of electronics. Nevertheless, as other 2D materials with atomic scale thickness, it suffers from easy degradation under ambient conditions. Herein, it is shown that the functionalization of BP with preformed and in situ grown Ni NPs, affects the electronic properties of the material. In particular, Ni functionalization performed in situ leads to a narrowing of the average BP band gap from 1.15 to 0.95 eV and to a marked shift in the conduction band maximum from -0.33 V to -0.07 V, which, in turn, improve the ambient stability. Structural studies carried out by XAS can well distinguish the two nanohybrids and reveal that once Ni NPs are grown on BP nanosheets, a Ni-P coordinative bond is formed, featuring a short Ni-P distance of 2.27 Å, which is not observed when preformed Ni NPs are immobilized on BP. Comparing the XANES and EXAFS spectra of fresh and aged samples of both nanohybrids, suggests that the interaction between Ni and P atoms results in a stabilization effect exerted via a dual electronic and redox mechanism, that infers a much superior ambient stability to BP, even if the surface functionalization is far to achieve a full coverage.

Visible Light-Active Ternary Heterojunction Photocatalyst for Efficient CO2 Reduction with Simultaneous Amine Oxidation and Sustainable H2O2 Production

The present work described a unique approach for CO2 reduction to methanol along with the oxidation of various amines to the corresponding imines and photocatalytic H2O2 production from H2O and molecular O2 using a heterojunction photocatalyst made up of ZnIn2S4/Ni12P5/g-C3N4(NCZ) under visible light irradiation. The photocatalysts were synthesized via a high-temperature treatment of nickel and phosphorous precursors with g-C3N4 followed by decoration of ZnIn2S4. The synthesized photocatalysts were characterized using various spectroscopic and microscopic techniques. The density functional theory (DFT) studies suggested the participation of the valence band maximum (VBM) from Ni12P5 and the conduction band maximum (CBM) from ZnIn2S4 in the ternary NCZ heterojunction. The ternary composite exhibited superior photocatalytic activity compared to that of its individual components due to the formation of a heterojunction, thereby enhancing the transfer efficiency of electrons from the conduction band of g-C3N4 to that of ZnIn2S4 using Ni12P5 as an electron bridge. Moreover, the reduced band gap of the ternary heterojunction played a key role in its higher efficiency.

Co‐Doped Mn3O4 Nanocubes via Galvanic Replacement Reactions for Photocatalytic Reduction of CO2 with High Turnover Number

The synthesis of Co-doped Mn3 O4 nanocubes was achieved via galvanic replacement reactions for photo-reduction of CO2 . Co@Mn3 O4 nanocubes could efficiently photo-reduce CO2 to CO with a remarkable turnover number of 581.8 using [Ru(bpy)3 ]Cl2 ⋅ 6H2 O as photosensitizer and triethanolamine as sacrificial agent in acetonitrile and water. The galvanic replaced Co species are homogeneously distributed at the outer surface of Mn3 O4 , providing catalytic active sites during CO2 reduction reactions, which facilitate the separation and migration of photogenerated charge carriers, further benefiting the outstanding photocatalytic performance of CO2 reduction. Density functional theory calculations revealed that the decreasing of conduction band maximum in Co@Mn3 O4 was beneficial to the electron attachment from the excited sensitized molecule, which promoted photocatalytic reduction of CO2 .

Self-Assembled Interwoven Nanohierarchitectures of NaNbO3 and NaNb1–xTaxO3 (0.05 ≤ x ≤ 0.20): Synthesis, Structural Characterization, Photocatalytic Applications, and Dielectric Properties

Dependence on fossil fuels for energy purposes leads to the global energy crises due to the nonrenewable nature and high CO2 production for environmental pollution. Therefore, new ways of nanocatalysis for environmental remediation and sustainable energy resources are being explored. Herein, we report a facile surfactant free, low temperature, and environmentally benign hydrothermal route for development of pure and (5, 10, 15, and 20 mol %) Ta-doped horizontally and vertically interwoven NaNbO3 nanohierarchitecture photocatalysts. To the best of our knowledge, such a type of hierarchical structure of NaNbO3 has never been reported before, and changes in the microstructure of these nanoarchitectures on Ta-doping has also been examined for the first time. As-synthesized nanostructures were characterized by different techniques including X-ray diffraction analysis, electron microscopic studies, X-ray photoelectron spectroscopic studies, etc. Ta-doping considerably affects the microstructure of the nanohierarchitectures of NaNbO3, which was analyzed by FESEM analysis. The UV–visible diffused reflectance spectroscopy study shows considerable change in the band gap of as-synthesized nanostructures and was found to be ranging from 2.8 to 3.5 eV in pure and different mole % Ta-doped NaNbO3. With an increase in dopant concentration, the surface area increases and was equal to 5.8, 6.8, 7.0, 9.2, and 9.7 m2/g for pure and 5, 10, 15, and 20 mol % Ta-doped NaNbO3, respectively. Photocatalytic activity toward the degradation of methylene blue dye and H2 evolution reaction shows the highest activity (89% dye removal and 21.4 mmol g–1 catalyst H2 evolution) for the 10 mol % NaNbO3 nanostructure which was attributed to a change in the conduction band maximum of the material. At 100 °C and 500 kHz, the dielectric constants of pure and 5, 10, 15, and 20 mol % Ta-doped NaNbO3 were found to be 111, 510, 491, 488, and 187, respectively. The current study provides the rational insight into the design of nanohierarchitectures and how microstructure affects different properties of the material upon doping.

Edge-rich atomic-layered BiOBr quantum dots for photocatalytic molecular oxygen activation

Photocatalytic molecular oxygen activation is severely restricted by poor charge separation and lack of absorption sites. Herein, BiOBr atomic-layered quantum dots (QDs) with abundant edge coordinatively unsaturated sites (CUS) was fabricated to tackle the aforementioned problems. The resulting BiOBr have a thickness equivalent to a single unit cell and have only 3–5 nm in width, which is the smallest value of all reported BiOBr materials. Our pioneering study discloses that the valence band minimum (VBM) and conduction band maximum (CBM) of atomic-layered BiOBr QDs are spatially separated. Therefore, on irradiation, holes are directly generated on the basal surfaces and electrons on the edge sites, leading to ultrafast charge separation. The edges expose a huge number of adsorption sites for oxygen molecules. As a results, the electrons on the edge sites are able to directly reduce the absorbed O2 molecules to exhibit strengthened photocatalytic O2− production. We also firstly demonstrate that BiOBr atomic-layered QDs are an excellent candidate for anticancer applications, which is attributed to enhanced O2− production activity. This study provides an in-depth understanding on the design of advanced photocatalysts via edge unsaturated coordinated sites engineering on the atomic scale.

Regulating Electronic Structure in Bi2 O3 Architectures by Ti Mediation: A Strategy for Dual Active Sites Synergistically Promoting Photocatalytic Nitrogen Hydrogenation.

Under mild conditions, nitrogen undergoes the associative pathways to be reduced with solar energy as the driving force for fixation, avoiding the high energy consumption when undergoing dissociation. Nevertheless, this process is hindered by the high hydrogenation energy barrier. Herein, Ti was introduced as hard acid into the δ-Bi2 O3 (Ti-Bi2 O3 ) lattice to tune its local electronic structure and optimize its photo-electrochemistry performance (reduced bandgap, increased conduction band maximum, and extended carrier lifetime). Heterokaryotic Ti-Bi dual-active sites in Ti-Bi2 O3 created a novel adsorption geometry of O-N2 interaction proved by density functional theory calculation and N2 temperature-programmed desorption. The synergistic effect of dual-active sites reduced the energy barrier of hydrogenation from 2.65 (Bi2 O3 ) to 2.13 eV (Ti-Bi2 O3 ), thanks to the highly overlapping orbitals with N2 . Results showed that 10 % Ti-doped Bi2 O3 exhibited an excellent ammonia production rate of 508.6 μmol gcat -1 h-1 in water and without sacrificial agent, which is 4.4 times higher than that of Bi2 O3 . In this work, bridging oxygen activation and synergistic hydrogenation for nitrogen with Ti-Bi dual active sites may unveil a corner of the hidden nitrogen reduction reaction mechanism and serves as a distinctive strategy for the design of nitrogen fixation photocatalysts.

Rational design of interfacial energy level matching for CuGaS2 based photocatalysts over hydrogen evolution reaction

CuGaS2(CGS) is effectively synthesized by a one-step solid-phase sintering method. The conduction band maximum, valence band maximum and flat band potential of the obtained CGS are −1.14, 1.21 and 0.33 V vs RHE, respectively. When the Cu to Ga atom ratio is 1: 1.4 in the raw material, the prepared CuGaS2 exhibits the highest visible-light (λ˃420 nm) H2 production activity. The hydrogen production rate of CuGaS2 reaches 1.12 mmol g−1 h−1 under visible-light radiation. When Ruthenium is loaded as cocatalyst, the H2 production rate of CuGaS2@Ru is promoted to 3.38 mmol g−1 h−1. At the same, the interior component of photo-induced carries transfer among photoharvestor and cocatalyst has been revealed. This research provides a facile strategy to fabricate CuGaS2 with excellent photocatalytic performance for H2 production.

Hydroxylation-induced defect states and formation of a bidentate acetate adstructure of TiO2 catalysts with acetic acid variation for catalytic application

TiO2 is considered a promising candidate for catalysis applications. The addition of acetic acid and its variation creates a strong bond with oxide surfaces, which generates various oxidizing agents. X-ray diffraction analysis of the prepared TiO2 nanoparticles reveals their semicrystalline nature. The results show that holes are captured by the surface and subsurface, producing , and the reducing agent , which act as active oxidizers during photocatalysis, thus confirming the occurrence of an OH radical via an advanced oxidation process. Increasing the acetic acid amount leads to disordered structural defects below the conduction band (CB). X-ray photoelectron spectroscopy analysis shows the induction of hydroxylation of surface defects, such as Ti–OH. The results indicate that an oxygen vacancy is favourable due to a large number of surface defects. Detailed discussion of the energy band structure with the concept of a valence band (VB) and a CB maximum is implemented. The electron-withdrawing carboxylic group can affect oxygen vacancies and acetate ligands on the photocatalyst surface. The formation of a bidentate acetate adstructure with a lower acetic acid concentration leads to an explanation for higher visible-light-driven methylene blue degradation. The mechanism for the formation of an additional Ti–O–Ti bond by a condensation process is also illustrated elaborately. Theoretical calculations of the potentials of the VB and CB show the effects of active sites on degradation and can be associated with redox reactions for water splitting abilities. A possible model of sensitized photocatalysis for hydrogen production with hydrogen and oxygen evolution sites is also proposed in this article. Thus, TiO2 nanoparticles with acetic acid variation are promising sources for photocatalytic/catalytic applications.

Effects of potassium treatment on SnO2 electron transport layers for improvements of perovskite solar cells

SnO2 has been studied intensively as an electron transport layer (ETL) for highly efficient metal halide perovskite solar cells. However, SnO2 ETL frequently exhibits defect-related issues associated with the bulk SnO2 and the perovskite/SnO2 interface, and to passivate the defect states potassium ion has been used. In order to investigate the passivation effect of potassium ion, we carried out KCl treatment on the solution-processed SnO2 ETL. It was found that KCl-treatment shifted up conduction band maximum and Fermi energy of SnO2, and reduced the band gap of perovskite absorber by K+ diffusion, which resulted in a better conduction band alignment at perovskite/SnO2. Admittance spectroscopy revealed that diffused K+ ions can passivate defects of the perovskite absorber layer. With the improvement of band alignment and defect passivation via the KCl treatment, the J-V hysteresis was almost eliminated and power conversion efficiency was much enhanced with improved open-circuit voltage and fill factor.

ZrSnO4: A Solution-Processed Robust Electron Transport Layer of Efficient Planar-Heterojunction Perovskite Solar Cells

A robust electron transport layer (ETL) is an essential component in planar-heterojunction perovskite solar cells (PSCs). Herein, a sol-gel-driven ZrSnO4 thin film is synthesized and its optoelectronic properties are systematically investigated. The optimized processing conditions for sol-gel synthesis produce a ZrSnO4 thin film that exhibits high optical transmittance in the UV-Vis-NIR range, a suitable conduction band maximum, and good electrical conductivity, revealing its potential for application in the ETL of planar-heterojunction PSCs. Consequently, the ZrSnO4 ETL-based devices deliver promising power conversion efficiency (PCE) up to 19.05% from CH3NH3PbI3-based planar-heterojunction devices. Furthermore, the optimal ZrSnO4 ETL also contributes to decent long-term stability of the non-encapsulated device for 360 h in an ambient atmosphere (T~25 °C, RH~55%,), suggesting great potential of the sol-gel-driven ZrSnO4 thin film for a robust solution-processed ETL material in high-performance PSCs.

Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures

Earth-abundant antimony trisulfide (Sb2S3), or simply antimonite, is a promising material for capturing natural energies like solar power and heat flux. The layered structure, held up by weak van-der Waals forces, induces anisotropic behaviors in carrier transportation and thermal expansion. Here, we used stress as mechanical stimuli to destabilize the layered structure and observed the structural phase transition to a three-dimensional (3D) structure. We combined in situ x-ray diffraction (XRD), Raman spectroscopy, ultraviolet-visible spectroscopy, and first-principles calculations to study the evolution of structure and bandgap width up to 20.1 GPa. The optical band gap energy of Sb2S3 followed a two-step hierarchical sequence at approximately 4 and 11 GPa. We also revealed that the first step of change is mainly caused by the redistribution of band states near the conduction band maximum. The second transition is controlled by an isostructural phase transition, with collapsed layers and the formation of a higher coordinated bulky structure. The band gap reduced from 1.73 eV at ambient to 0.68 eV at 15 GPa, making it a promising thermoelectric material under high pressure.

Origin of the Improved Performance of Cu(In,Ga)(S,Se)2 Solar Cells by Postdeposition Treatments: Effect of Band Offsets

Postdeposition treatment (PDT) with alkali metals has profoundly improved the performance of $\mathrm{Cu}(\mathrm{In},\phantom{\rule{-1.5pt}{0ex}}\mathrm{Ga})(\mathrm{S},\phantom{\rule{-1.5pt}{0ex}}\mathrm{Se}{)}_{2}$ solar cells. Several mechanisms have been proposed to explain the improved performance, but the exact origin is still under debate. Here, using first-principles calculations, we demonstrate that alkali metals tend to accumulate at the interface, which significantly improves the band offset between the absorber and the alkali-metal-doped ${\mathrm{Cu}}_{1\ensuremath{-}x}{\mathrm{Na}}_{x}(\mathrm{In},\phantom{\rule{-1.5pt}{0ex}}\mathrm{Ga}){\mathrm{Se}}_{2}$ buffer layer. Our results show that, as the fraction of $\mathrm{Na}$ increases, the valence-band maximum (VBM) of the alloy layer decreases, while the conduction-band maximum (CBM) increases. The drop of the VBM introduces a hole barrier, repelling holes away from the interface, and a moderately higher CBM forms a benign spikelike conduction-band offset (CBO) against the absorber layer independent of the $\mathrm{Ga}$ concentration. Both effects are beneficial for the solar-cell efficiency and exhibit extra advantages over the ordered vacancy compound (OVC), which commonly exists before the PDT, because, although the OVC can introduce the hole barrier, it also introduces a detrimental clifflike CBO, especially at a high $\mathrm{Ga}$ concentration. Such understandings of band offsets introduced by PDT can further be extended to other alkali metals, such as $\mathrm{K}$, $\mathrm{Rb}$, and $\mathrm{Cs}$, and the design principles can also be extended to other types of thin-film solar cells.

(Invited) Copper Kesterite Photocathode for Photoelectrochemical Water Splitting

Copper kesterite, Cu2Zn(S,Se)4, with tunable bandgap between 1.1 – 1.7eV, is one of the most promising candidates for emerging thin film solar cell. It also has many suitable attributes of a photocathode for photoelectrochemical solar water splitting such as good absorption coefficient and conduction band maximum > H2O/H2 reduction potential. However the photocurrent and onset potential are relatively poorer due to tendency of forming deep defects associated with Cu, Zn, Sn antisites and interfacial defects. In this talk, I will present our group’s efforts in eliminating these defects by cation substitution. We found that partially substituting Zn with Cd improved its carrier mobility and lifetime and resulted in 4x enhancement of photocurrent. Ag partial substitution of Cu resulted in reduced defects at the CZTS/CdS interface and led to better onset potential. Finally, we show the use of transparent conducting oxide which not only improves the electron transport to the electrolyte, but also improves the long term stability of the photocathode.

Improved performance of InGaN/GaN LED by optimizing the properties of the bulk and interface of ITO on p-GaN

Indium Tin Oxide films were deposited directly on p-type Gallium Nitride film using the electron beam deposition method at different substrate temperatures from 25 °C to 550 °C. The structural, optical and Hall measurements represent a direct correlation of ITO properties with the substrate temperature during deposition. The substrate temperature of 450 °C produces the best ITO/p-GaN properties for the InGaN/GaN Light Emitting Diode performance, which outperforms the 550 °C device, although the latter exhibits better optical characteristics. At 100 mA, the 450 °C LED exhibits the highest power efficiency of 9.32 mW with an operation voltage of 6.96 V. X-ray Photoemission Spectroscopy measurement shows that substitution of Sn4+ occurs inside the In2O3 structure, which reaches its limit at the 450 °C substrate temperature. This result manifests the crucial role of the surface chemistry effect on the current injection into the LED. Additionally, the band offset of ITO/p-GaN interface data shows that the interface of the 450 °C sample exhibits the highest conduction band offset of 1.93 eV. For the metal/ITO junction, the 450 °C sample experiences the lowest Conduction Band Maximum of 0.69 eV, which ultimately helps to enhance the carrier injection from the anode part in the device.

CdS@MoS2 Hetero-structured Nanocomposites Are Highly Effective Photo-Catalysts for Organic Dye Degradation.

CdS@MoS2 hetero-structured nanocomposites (HSNPs) were successfully synthesized via a hydrothermal approach. The morphology and crystal structure of these composites as well as their ability to act as photocatalysts for the degradation of methylene blue were investigated using scanning electron microscopy, X-ray diffraction, transmission electron microscopy, and UV–vis absorption spectroscopy. The developed CdS@MoS2 nanocomposites exhibited an 80% degradation rate with 30 min of visible light irradiation. To characterize the basis of the photocatalytic properties of these materials, the transient photocurrent densities were determined for the CdS@MoS2 HSNPs and pure dendritic CdS nanotrees. The results suggest that the photocatalytic activity may reflect electron transfer between the conduction band maximum of CdS and MoS2. Additionally, the improved visible light absorption, decreased electron–hole pair recombination, and enhanced surface area for more effective dye absorption likely contribute to improved photocatalytic performance.

Heteroleptic Tin-Antimony Sulfoiodide for Stable and Lead-free Solar Cells

Summary The quaternary chalcogenide halides of group IV and V elements have attracted much attention due to their interesting semiconducting properties as well as a suitable band gap for solar cells. Here, for the first time, we report on solar cells using tin-antimony sulfoiodide (Sn2SbS2I3). Sn2SbS2I3 solar cells were fabricated using a chemical single-step deposition process with a solution containing a SbCl3-thiourea complex and SnI2 with the configuration of TiO2 and poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b′]dithiophene)-alt-4,7-(2,1,3-enzothiadiazole)] as the electron- and hole-transporting layers, respectively. The best-performing cell exhibits a power conversion efficiency of 4.04% under the illumination of standard AM 1.5G conditions (100 mW cm−2). These unencapsulated cells exhibited good stabilities at 80% relative humidity, 85°C in air, and under illumination, respectively. These results provide guidelines for fabrication of lead-free heteroleptic perovskite solar cells by hosting divalent or combinations of monovalent and trivalent metal cations.