Suitable Band Structure Research Articles

Introducing Oxygen Vacancies into a WO3 Photoanode through NaH2PO2 Treatment for Efficient Water Splitting.

WO3, with a high light absorption capacity and a suitable band structure, is considered a promising photoanode material for photoelectrochemical water splitting. However, the poor photoinduced electron-hole separation efficiency limits its application. Herein, we report an effective strategy to suppress electron-hole recombination by introducing oxygen vacancies (OV) on the surface of a WO3 photoanode through NaH2PO2 treatment. An OV-enriched amorphous surface layer with a thickness of 4 nm is formed after NaH2PO2 treatment, which increases the charge carrier density and enlarges the electrochemical surface area of the photoanode. The charge separation and surface injection efficiencies are both improved after NaH2PO2 treatment, and the charge transfer process of the photoanode is accelerated consequently. The current density of the modified WO3 photoanode reaches 0.96 mA cm-2 at 1.23 V.

Pb-N Chemically Anchors CsPbBr3 on 1D Porous Tubular g-C3N4 for Enhanced Photocatalytic CO2 Reduction.

Halide perovskite CsPbBr3 (CPB) quantum dots (QDs) are considered as a promising candidate for solar-driven CO2 conversion for their unique optoelectronic properties and suitable band structure. However, the CO2 conversion efficiency of pristine CsPbBr3 quantum dots is severely limited due to their rapid electron-hole pair recombination and insufficient active sites. In this study, by immobilizing CPB QDs onto one-dimensional (1D) porous tubular g-C3N4 (TCN), an effective 0D/1D CPB@TCN heterojunction photocatalyst for CO2 reduction is fabricated. Density functional theory (DFT) calculations combined with experimental studies demonstrate that CPB QDs are uniformly anchored on the surface of TCN through Pb-N chemical bonding, resulting in efficient separation and transfer of photogenerated carriers in CPB@TCN photocatalysts. The resultant CPB@TCN photocatalysts exhibit significantly enhanced photocatalytic activity for CO2 reduction with the highest conversion rate of 22.62 μmol·g-1·h-1, which is 5.33-times higher than that of pristine CPB QDs. This work unveils the interfacial bonding mechanism of CPB@TCN heterojunction through Pb-N chemical bond, which provides new insights for the development perovskite-based heterojunction photocatalysts.

Cross-Linkable Fullerene Electron Transport Layer with Internal Encapsulation Capability for Efficient and Stable Inverted Perovskite Solar Cells.

A stable and compact fullerene electron transport layer (ETL) is crucial for high-performance inverted perovskite solar cells (PSCs). However, traditional fullerene-based ETLs like C60 and PCBM are prone to aggregate under operational conditions, a challenge recently recognized by academic and industrial researchers. Here, we designed and synthesized a novel cross-linkable fullerene molecule, bis((3-methyloxetan-3-yl)methyl) malonate-C60 monoadduct (BCM), for use as an ETL in PSCs. Upon a low-temperature annealing at 100 °C, BCM undergoes in-situ cross-linking to form a robust cross-linked BCM (CBCM) film, which demonstrates excellent electron mobility and a suitable band structure for efficient PSCs. Our results show that PSCs incorporating CBCM-based ETL achieve an impressive efficiency of 25.89% (certified: 25.36%), significantly surpassing the 23.25% efficiency of PCBM-based devices. The intramolecular covalent interactions within CBCM films effectively prevent aggregation and enhance film compactness, creating an internal encapsulation layer that mitigates the decomposition and ion migration of perovskite components. Consequently, CBCM-based PSCs show exceptional stability, maintaining 97.8% of their initial efficiency after 1000 hours of maximum power point tracking, compared to only 78.6% retention in PCBM-based devices after less than 820 hours.

Organic Salt Buffer Layer Enables High‐Performance NiOx‐Based Inverted Perovskite Solar Cells

The merits of a low‐cost fabrication process, suitable band structure, excellent wettability to perovskite precursor, and outstanding stability ensure NiOx as a hole transport material with beneficial characteristics to construct high‐performance perovskite solar cells (PSCs). However, direct contact between perovskite and NiOx causes delamination and chemical instability and thus results in poor carrier transport and short device lifespan. Here, we propose a solution for this issue by introducing an organic salt additive 4‐(trifluoromethyl) benzylammonium formate (TFMBAFa) in the perovskite precursor to passivate perovskite film and NiOx@(2‐(3,6‐dimethyl‐9H‐carbazol‐9‐yl) ethyl) phosphonic acid (Me‐2PACz) composited hole transport layer (HTL), and thus construct a buffer layer between perovskite‐HTL interface. The effective diminishing of NiOx/perovskite interfacial reactions and defects results in enhanced carrier transport. Consequently, the target device achieves simultaneous improvements in power conversion efficiency (24.2%), storage stability (T100 > 1400 h), thermal stability (T80 > 1000 h), and operational stability (T70 > 850 h), where T100, T80, and T70 refer to the retention of 100%, 80%, and 70% of initial PCE, respectively. This work provides an effective strategy to advance the performance of NiOx‐based inverted PSCs.

Step-Scheme SnO₂/Zn₃In₂S₆ Catalysts for Solar Production of Hydrogen Peroxide From Seawater.

Photocatalytic generation of H₂O₂, involving both oxygen reduction and water oxidation without sacrificial agents, necessitates maximized light absorption, suitable band structure, and efficient carrier transport. Leveraging the redox capacity this study designs and constructs a step-scheme heterostructured SnO₂/Zn₃In₂S₆ catalyst for H₂O₂ production from seawater under ambient conditions for the first time. This photocatalyst demonstrates a remarkable H₂O₂ production rate of 43.5µmol g⁻¹ min⁻¹ without sacrificial agents, which can be increased to 80.7µmol g⁻¹ min⁻¹ with additional O₂ injection. Extensive in situ and ex situ characterizations, supported by theoretical calculations, reveal efficient carrier transport and robust redox ability, enabling complete photosynthesis of H₂O₂ at the oxidation and reduction sites in the S-scheme SnO₂/Zn₃In₂S₆ heterojunction. Furthermore, it is hypothesized that substituting SnO₂ with other semiconductors such as TiO₂, WO₃, and BiVO₄ can all form S-scheme and the results confirm the feasibility of such catalyst design. Additionally, it demonstrates the recycling and further utilization of the H₂O₂ produced. These findings offer new insights into the design of heterostructure catalyst architectures and present new opportunities for H₂O₂ production from seawater at ambient conditions without sacrificial agents.

Cyanobacterial hydrothermal carbonization carbon as photocatalyst for selective aerobic oxidation of cyclohexane

The exploration of catalyst preparation techniques that incorporate environmental-friendly methodologies has consistently been the focus of scientific inquiry within the field of green synthesis of oxygen-containing organic chemicals. Herein, a metal-free hydrothermal carbonation carbon (HTCC) has been prepared utilizing cyanobacterial biomass produced during a water bloom in a freshwater lake. The HTCC produced is capable of performing photocatalytic selective oxidation of cyclohexane to cyclohexanol and cyclohexanone (KA oil) under ambient conditions. The use of cyanobacterial biomass allows for the efficient preparation of HTCC, which exhibits a conversion rate of cyclohexane that is 4.1 times of HTCC prepared with alternative carbon sources (glucose). The selectivity to KA oil over the samples are almost 100%. Characterizations and analysis reveal that cyanobacteria can lead to self-doping of nitrogen and hydrophobicity of the resulting HTCC, while sulfuric acid etching endow it with more photoactive sp2 hybridized structure units that contribute to a higher photogenerated carrier separation efficiency. The suitable band structure enables the cyanobacterial HTCC to produce superoxide radicals to oxidize cyclohexane. These findings are of great significance for the development of eco-friendly photocatalysts and the utilization of biomass resources.

Photocatalytic H2 evolution over CuCoSe2 nanoparticles decorated TiO2 nanosheets with S-scheme charge separation route

The construction of S-scheme heterojunctions via exploring semiconductors with suitable energy band structures can effectively improve the photocatalytic performance of TiO2. In this work, CuCoSe2/TiO2 heterojunction were prepared using solvent evaporation strategy by their different surface charge properties. The investigation indicates that rates of H2 evolution (rH2) of the system increases significantly from 138.1 (TiO2) to 3773.8 μmol·g−1·h−1 (CuCoSe2/TiO2). It is found that the incorporation of CuCoSe2 can extend the visible light absorption range of the system, increase the electrochemically active surface area, facilitate charge generation and decrease the transfer resistance, reduce the H2 production overpotential and the water contact angle. Further investigation reveals that a bimetallic selenide CuCoSe2 exhibit superior enhancement activity compared to their monometallic selenides (CuSe2, CoSe2) due to the synergistic effect of Co and Cu. Especially, the charge transfer between CuCoSe2 and TiO2 follows S-scheme charge separation route, which can effectively enhance charge separation/migration, reserve e− with strong reducing ability in TiO2, thereby promoting the H2 evolution kinetics. Moreover, the heterojunction also demonstrates exceptional stability throughout the cycle experiment. The present work establishes an experimental basis for the advancement of highly efficient and stable bimetallic selenides related heterojunctions in the field of photocatalytic H2 evolution.

Enhanced interfacial electric field via sulfur vacancies modified ZnIn2S4-Vs@NiIn2S4 S-scheme photocatalysts for simultaneous H2 evolution and benzyl alcohol oxidation

Designing and developing efficient photocatalysts for H2 evolution and simultaneous oxidation of benzyl alcohol (BA) in aqueous environments provides a cutting-edge strategy for green synthesis. Nevertheless, the photocatalysts suffer from the low photoconversion efficiency because of the sluggish dynamics and repaid recombination of photogenerated charge carriers, which hindering their widespread applications. To address the limitation, a multifunctionnal sulfur vacancies (SVs) modified ZIS-Vs@NIS S-scheme heterojunction with a strong interfacial electric field effect was synthesized to use photocatalytic H2 production and BA oxidation, simultaneously. Experimental analysis supports that the synergistic effect of SVs and S-scheme heterojunction engineering result in a suitable energy band structure alignment and larger Fermi level potential difference. Those factors can realize effective charge transfer and separation, and enhance the photocatalytic performance. As anticipated, ZIS-Vs@NIS exhibited a superior photocatalytic performance with H2 and benzaldehyde (BAD) yields up to 168.1 and 146.1 μmol under the simulated solar-light irradiation for 1.0 h, respectively, which are approximately 13.3 and 11.8 times higher than pristine ZIS. Moreover, the photocatalytic H2 evolution coupled with BA oxidative dehydrogenation mechanism via S-scheme heterojunction over ZIS-Vs@NIS is also demonstrated in detail.

Nano-CeO2 for the Photocatalytic Degradation of the Complexing Agent Citric Acid in Cu Chemical Mechanical Polishing

Cu interconnect chemical mechanical polishing (CMP) technology has been continuously evolving, leading to increasingly stringent post-CMP cleaning requirements. To address the environmental pollution caused by traditional post-CMP cleaning solutions, we have explored the use of photocatalytic processes to remove citric acid, which is a commonly used complexing agent for CMP. In this study, CeO2 abrasives, characterized by a hardness of 5.5, are extensively employed in CMP. Importantly, CeO2 also exhibits a suitable band structure with a band gap of 2.27 eV, enabling it to photocatalytically remove citric acid, a commonly used complexing agent in Cu CMP. Additionally, the integration of H2O2, an essential oxidant in Cu CMP, enhances the photocatalytic degradation efficiency. The research indicates that the removal rate of single-phase CeO2 was 1.78 mmol/g/h and the degradation efficiency increased by 40% with the addition of H2O2, attributed to the hydroxyl radicals generated from a Fenton-like reaction between H2O2 and CeO2. These findings highlight the potential of photocatalytic processes to improve organic contaminant removal in post-CMP cleaning, offering a more sustainable alternative to conventional practices.

ZnO/SrTiO3, ZnO/WO3, and ZnO/Zn2SnO4 Bilayer as Electron Transport Layers for Lead Sulfide Colloidal Quantum Dots Solar Cells.

In order to enhance the overall efficiency of colloidal quantum dots solar cells, it is crucial to suppress the recombination of charge carriers and minimize energy loss at the interfaces between the transparent electrode, electron transport layer (ETL), and colloidal quantum dots (CQDs) light-absorbing material. In the current study, ZnO/SrTiO3(STO), ZnO/WO3(TO), and ZnO/Zn2SnO4(ZTO) bilayers are introduced as an ETL using a spin-coating technique. The ZTO interlayer exhibits a smoother surface with a root-mean-square (RMS) value of ≈ 3.28nm compared to STO and TO interlayers, which enables it to cover the surface of the ITO/ZnO substrate entirely and helps to prevent direct contact between the CQDs absorber layer and the ITO/ZnO substrate, thereby effectively preventing efficient charge recombination at the interfaces of the ETL/CQDs. Furthermore, the ZTO interlayer possesses superior electron mobility, a higher visible light transmission, and a suitable energy band structure compared to STO and TO. These characteristics are advantageous for extracting charge carriers and facilitating electron transport. The PbS CQDs solar cell based on the ITO/ZnO/ZTO/PbS-FABr/PbS-EDT/NiO/Au device configuration exhibits the highest efficiency of 15.28%, which is significantly superior than the ITO/ZnO/PbS-FABr/PbS-EDT/NiO/Au solar cell device (PCE = 14.38%). This study is anticipated to offer a practical approach to develop ultrathin and compact ETL for highly efficient CQDSCs.

A novel gas sensor based on ZnO nanoparticles self-assembly porous networks for morphine drug detection in methanol

Developing efficient drug-detecting technologies is critical to the fight against their related abuse and trafficking crimes. In the present work, a novel morphine detection device based on metal-oxide-semiconductor (MOS) gas sensors with low-cost, highly sensitive, and portable is designed and fabricated. The exclusive sensitive material, ZnO nanoparticles self-assembly porous networks (ZnO-N) with ample oxygen vacancies (OV) defects prepared by PVP-chelated precipitation followed by a chemical blowing calcination method, is decisive to morphine drug identification. OV defects can modulate the intrinsic electronic structure and endow ZnO-N with more suitable band structures for enhancing oxygen species adsorption and morphine molecules oxidation. The optimal ZnO-N-2 sensor exhibits positive linear relationship response values of 1.1–8.8 in the concentrations of 2–200 ppm toward the standard morphine drug sample at the optimal operating temperature of 250°C. More importantly, the homemade portable device equipped with the ZnO-N-2 sensor can accurately identify the morphine drug and perform early warning. This work innovatively demonstrates the feasibility of MOS gas sensors for the detection of stashing morphine drugs in methanol, which is of great significance for effectively combating global drug-related crimes.

Enhanced photocatalytic performance of CdZnS nanoparticles and attapulgite/carbon nitride composites by carbon quantum dots mediated facilitated charge separation/transfer: Cr(VI) reduction and H2O2 production

In this work, CdZnS@carbon quantum dots/amino-modified attapulgite/carbon nitride (CdZnS@CQDs/M-ATP/PCN), function as Z-scheme heterojunction photocatalysts, have been successfully prepared by the hydrothermal method. CdZnS@CQDs-1/M-ATP/PCN-1 was optimized toward reduction of Cr(VI) and production of H2O2 under visible light, showing significantly improved photocatalytic performance. After coupling of M-ATP/PCN-1 with CdZnS and a moderate addition of CQDs, the synergistic formation of Z-scheme heterojunctions photocatalytic system effectively enhanced the photocatalytic properties of the composites. The results revealed that the CdZnS@CQDs/M-ATP/PCN catalysts contain rich active centers and suitable energy band structures, which enable them to produce more OH and O2−. Additionally, they also absorb visible light strongly and thus effectively improves the photocatalytic activity. Specifically, the reduction of Cr(VI) by CdZnS@CQDs-1/M-ATP/PCN-1 catalyst was achieved greater than 97.6 %, along with the production of 719.32 μmol·L−1 H2O2. Combining density functional theory (DFT) calculations, experimental test results and characterizations, we find that the excellent photocatalytic performance is attributed to the incorporation of CQDs and the formation of Z-scheme heterojunctions. We have developed a non-precious metal-based efficient Z-scheme photocatalytic system using simple hydrothermal synthesis method, which has a very high potential for energy production, environmentally sustainable remediation, and water purification.

G‐C3N4 Based Composite Materials for Photo‐Fenton Reaction in Water Remediation: A Review of Synthesis Methods, Mechanism and Applications

AbstractOrganic pollutants in water pose significant challenges for water treatment due to their harmful effects and resistance to conventional methods. The rapid increase in industrial wastewater discharge has heightened the need for effective pollutant degradation techniques. Photo‐Fenton technology, an advanced oxidation process, has gained attention for its ability to degrade a wide range of organic contaminants in water. Developing high‐performance photo‐Fenton catalysts is therefore crucial. Graphitic carbon nitride (g‐C3N4) stands out in this field due to its suitable energy band structure, stable properties, and simple synthesis process. However, its application is limited by a low specific surface area, narrow light absorption, and high recombination rate of photogenerated carriers. This review provides a concise overview of current research on g‐C3N4 in photo‐Fenton technology, covering synthesis methods, modifications, and the mechanisms enhancing its photo‐Fenton activity. It also highlights key factors affecting g‐C3N4’s effectiveness in photo‐Fenton reactions and discusses recent advancements in its applications. The review concludes with an analysis of existing challenges and potential future directions for g‐C3N4‐based photo‐Fenton catalysts, offering theoretical insights to advance their industrial use in wastewater treatment.

Structurally Oriented Carbon Dots as ROS Nanomodulators for Dynamic Chronic Inflammation and Infection Elimination.

The selective elimination of cytotoxic ROS while retaining essential ones is pivotal in the management of chronic inflammation. Co-occurring bacterial infection further complicates the conditions, necessitating precision and an efficacious treatment strategy. Herein, the dynamic ROS nanomodulators are rationally constructed through regulating the surface states of herbal carbon dots (CDs) for on-demand inflammation or infection elimination. The phenolic OH containing CDs derived from honeysuckle (HOCD) and dandelion (DACD) demonstrated appropriate redox potentials, ensuring their ability to scavenge cytotoxic ROS such as ·OH and ONOO-, while invalidity toward essential ones such as O2·-, H2O2, and NO. This enables efficient treatment of chronic inflammation without affecting essential ROS signal pathways. The surface C-N/C═N of CDs derived from taxus leaves (TACD) and DACD renders them with suitable band structures, facilitating absorption in the red region and efficient generation of O2·- upon light irradiation for sterilization. Specifically, the facilely prepared DACD demonstrates fascinating dynamic ROS modulating ability, making it highly suitable for addressing concurrent chronic inflammation and infection, such as diabetic wound infection. This dynamic ROS regulation strategy facilitates the realization of the precise and efficient treatment of chronic inflammation and infection with minimal side effects, holding immense potential for clinical practice.

Effect of precursors on the structure and photocatalytic performance of g-C3N4 for NO oxidation and CO2 reduction

Graphitic carbon nitride (g-C3N4, CN) is recognized as the most extensively studied organic polymeric photocatalyst for pollution control and energy conversion due to its facile synthesis and suitable electronic band structure. The aim of the present work is to explore the effect of precursors, such as urea (U, (NH2)2CO), dicyandiamide (D, C2H4N4) and melamine (M, C3H6N6), on the structure and photocatalytic activity of the obtained CN samples, denoted as UCN, DCN and MCN, respectively. The sheet-like UCN sample shows significantly enhanced photoreactivity in both NO oxidation and CO2 reduction compared to the bulk DCN and MCN materials. In addition, UCN demonstrates the ability to suppress the formation of toxic NO2 intermediate during the photocatalytic oxidation of NO. The improved photocatalytic activity of UCN can be attributed to a dual effect: first, its increased specific surface area provides more active sites for the photocatalytic reaction; second, it exhibits a stronger affinity for substrates like NO and CO2, which facilitates charge migration at the interface.

Defect and doping engineering mediated M-D-MIL(Fe)/Cu-C3N4 heterojunction with dual active centers for efficient tetracycline hydrochloride removal

It is essential to explore Fe-MOFs catalysts containing both multiple active sites and rapid charge separation for improving photo-Fenton performance. Herein, a defect and doping engineering mediated M-D-MIL(Fe)/Cu-C3N4 heterojunction with dual active centers was prepared and its removal performance was investigated against tetracycline hydrochloride. Characterization confirms that: (1) The ligand vacancies in M-D-MIL(Fe) can expose plenty of coordinatively unsaturated metal sites (Fe CUS), which enhance the Lewis acidity and optimize the adsorption of H2O2. Meanwhile, the built-in dual redox centers (Fe3+/Fe2+ and Cu+/Cu2+) can synergistically promote the activation of H2O2. (2) The ligand vacancies in M-D-MIL(Fe) and copper ion in C3N4 as electron trapping sites can optimize the carrier separation of single-component materials. Furthermore, the composites exhibit a suitable energy band structure, an oriented built-in electric field, and tight interfacial contacts, all of which collectively create an optimal pathway and driving force for the efficient transport of photoinduced charges. This, in turn, accelerates the Fe3+/Fe2+ redox cycle. Finally, M-D-MIL(Fe)/Cu-C3N4 demonstrates excellent photo-Fenton performance at low H2O2 concentrations (5 mM), with a kinetic rate (k) of 0.035 min⁻¹, which is 14.58, 18.42, 1.94, and 15.21 times higher than those of MIL-100(Fe), C3N4, M-D-MIL(Fe), and Cu-C3N4, respectively. The study presents an innovative idea with potential applications in environmental restoration.

Achieve efficient photocatalytic degradation of multiple pollutants by constructing WO3-x/BiOBr heterojunctions with hierarchical structure on carbon fibre cloths

Photocatalytic technology has shown excellent application potential in water pollution treatment, but the design and preparation of reusable photocatalysts that can degrade multiple pollutants with high efficiency is a major difficulty limiting the development of this field. Herein, the CF/WO3-x/BiOBr heterojunctions with hierarchical structures were synthesized via a two-step hydrothermal method, in which sheet BiOBr with high-efficiency {001} exposed crystal plane self-assembled into flower-like structure. Due to the unique microstructure control and suitable energy band structure matching, the CF/WO3-x/BiOBr-2.5 M has shown excellent photodegradation effect on a variety of pollutants at the same time (91.2 % for RhB dye, 71.5 % for TCH antibiotic and 88.2 % for Cr(VI) heavy metal pollutant). The synthesis of WO3-x/BiOBr heterojunctions enabled an efficient redox reaction, which facilitated the effective separation and transport of electron-hole pairs. Overall, the results provide a novel approach to designing cloth-based photocatalytic systems with unique structures capable of degrading multiple pollutants.

Promising photovoltaic, optoelectronic and p-type thermoelectric Sr4Pn2O (Pn = Sb, Bi) compounds: A first principles study

Tetra-strontium di-pnictide oxides Sr4Pn2O (Pn = Sb, Bi) belong to the oxypnictide-type materials attracting a lot of attention due their unique properties which are very advantageous for photovoltaic and thermoelectric applications. In spite of the fact that structural features of Sr4Pn2O (Pn = Sb, Bi) are known, however, their ability for applying in renewable energy has not been discovered yet. Therefore, in this study, the electronic structure of the two compounds was studied in detail that provides a key knowledge on understanding their optical and thermoelectric properties. The present data indicate that Sr4Pn2O (Pn = Sb, Bi) oxides have suitable band structure for photovoltaic applications with high absorption rates of 105–106 cm−1. The two compounds are also promising p-type thermoelectric materials with the figure of merit of about 0.45–0.55. Sr4Pn2O materials have strong nonlinear characteristics, making them highly promising for optical switching devices. Our research provides further insights into the features of Sr4Sb2O and Sr4Bi2O compounds besides current experimental data, demonstrating that both compounds have promising characteristics as optoelectronic materials.

Dual functional S-scheme ZnIn2S4/crystalline polymeric carbon nitride (ZIS/CPCN) heterojunction for efficient photocatalytic hydrogen evolution and degradation of levofloxacin

Developing dual functional catalysts for photocatalytic hydrogen evolution and pollutant degradation is one of the most ideal methods to address energy and environmental pollution. In the present study, an S-scheme ZnIn2S4/crystalline polymeric carbon nitride (ZIS/CPCN) heterojunction was synthesized using simple hydrothermal and calcination methods. The CPCN with a highly ordered heptazine-imide structure within the layer imparts a suitable band structure, while the widened interlayer spacing facilitates rapid electron transfer through surface engineering to construct heterojunctions. During the in-situ growth process, ZnIn2S4 uniformly distributes on the high surface area of CPCN as ultra-thin nanosheets. Under visible light irradiation, ZIS/CPCN-2 exhibited the highest hydrogen production activity (3492 μmol·g−1·h−1), which was 4 times and 112 times higher than ZIS and CPCN, respectively. Furthermore, the ZIS/CPCN catalyst demonstrated a certain degradation rate for quinolone antibiotics within 180 min, involving the •OH and •O2– radicals, and analyzed the degradation pathway of levofloxacin. The most stable configuration was obtained through theoretical calculations, and the density of states and work function of the sample were computed, proposing the S-scheme mechanism. This work contributes to the development of efficient photocatalytic systems with dual functions of hydrogen evolution and degradation.

Hydrophobic Electron‐Transport Layer for Efficient Tin‐Based Perovskite Solar Cells

AbstractWith excellent biocompatibility, a narrow bandgap, and long thermal carrier lifetime, tin‐based perovskite solar cells (TPSCs) are promising within the solar technology. The fullerene derivative indene‐C60 bisadduct (ICBA) is recognized as the most efficient electron‐transport material for TPSCs, thanks to its suitable band structure. Nevertheless, the limited electron transport capability and susceptibility to moisture penetration of ICBA have hindered the progress of TPSCs. Herein, the study proposes a new hydrophobic electron‐transport layer (ETL) comprising a surface‐anchored non‐fullerene n‐type semiconducting polymer layer, poly (naphthalene diimide‐alt‐dithiophenebezothiadiazole) (PNDI‐BT), in conjunction with ICBA. PNDI‐BT exhibits high electron mobilities, a fitting band structure, robust interaction with Sn‐based perovskites, and exceptional moisture resistance, effectively addressing the shortcomings of ICBA. Consequently, this innovative hydrophobic ETL of PNDI‐BT/ICBA enhances electron transport and protects Sn‐based perovskites from moisture. As a result, the inverted TPSCs with the new hydrophobic ETL achieve an impressive efficiency of 13.90%, surpassing TPSCs with the ICBA layer (12.75%). Moreover, even after 1000 h of storage in ambient atmosphere, the encapsulated TPSC maintains a remarkable 81% of its initial efficiency. This comprehensive study seamlessly integrates the synthesis of non‐fullerene n‐type semiconducting polymer and device fabrication, providing valuable insights into designing cutting‐edge ETL structure for inverted TPSCs.