Heterojunction Engineering Research Articles

Construction of LDH-derived CoNiP modified W/Z-CdS homojunction for improved photocatalytic hydrogen evolution: Achieving broad solar light response and multiple phases charge transfer

Heterojunction engineering represents a robust strategy for accelerating carrier transfer, thereby enhancing the activity of photocatalytic hydrogen evolution. In this work, a series of innovative CoNiP@W/Z-CdS heterojunctions were prepared for the purpose of investigating the photocatalytic hydrogen evolution activity under visible light-driven. To achieve high efficiency, lamellar CoNiP was first synthesized through the phosphatisation of CoNi LDH precursor. Subsequently, the W/Z-CdS homojunction was in-situ grown on the CoNiP via the hydrothermal method, resulting in the formation of the CoNiP@W/Z-CdS homojunction/heterojunction. The hydrogen evolution rate of 3% CoNiP@W/Z-CdS composite reaches 60.6 mmol/g/h, which is 3.6 times, 7.0 times and 11.9 times higher than that of W/Z-CdS, W-CdS and Z-CdS, respectively. The enhanced photocatalytic performance of 3% CoNiP@W/Z-CdS can be attributed to the introduction of an ultra-thin CoNiP bimetallic phosphide as cocatalyst, which increases the specific surface area to provide a large number of active sites for the catalytic reaction, and broadens the absorption range of sunlight. In particular, the synergistic effect between homojunction and Schottky junction in 3% CoNiP@W/Z-CdS further accelerates separation and migration rate of double interfacial carriers, improving photocatalytic H2 rate. This work offers a new perspective for the rational design of three-phase binary photocatalysts with high activity and stability.

Boosting Alkaline Hydrogen Oxidation Kinetics through Interfacial Environments Induced Surface Migration of Adsorbed Hydroxyl

Constructing bifunctional sites through heterojunction engineering to accelerate water formation has become a pivotal strategy to improve the alkaline hydrogen oxidation reaction (HOR) kinetics, which is mainly focused on the synergistic effect of neighboring sites and the energetics of the surface reaction steps. However, the roles of the surface migration of key intermediates that go beyond the bifunctional mechanism limited to neighboring atoms have usually been ignored. Using the heterostructured Ni3C‐Ni catalyst as a model, we found that the rapid surface migration of OHad species from the positively charged Ni3C to the negatively charged Ni component played a decisive role in facilitating water formation. Such unprecedented surface migration of OHad is induced by the large discrepancy between the local surface charge densities and interfacial environments of the Ni3C and Ni components under operating conditions. Benefiting from this, the resultant Ni3C‐Ni exhibited outstanding mass activity for the alkaline HOR, which was approximately 19‐fold and 21‐fold higher than those of Ni and Ni3C, respectively. These findings not only provide novel insights into the alkaline HOR mechanism of heterostructured catalysts but also open new avenues for developing advanced electrocatalysts for alkaline fuel cells.

Boosting Alkaline Hydrogen Oxidation Kinetics through Interfacial Environments Induced Surface Migration of Adsorbed Hydroxyl.

Constructing bifunctional sites through heterojunction engineering to accelerate water formation has become a pivotal strategy to improve the alkaline hydrogen oxidation reaction (HOR) kinetics, which is mainly focused on the synergistic effect of neighboring sites and the energetics of the surface reaction steps. However, the roles of the surface migration of key intermediates that go beyond the bifunctional mechanism limited to neighboring atoms have usually been ignored. Using the heterostructured Ni3C-Ni catalyst as a model, we found that the rapid surface migration of OHad species from the positively charged Ni3C to the negatively charged Ni component played a decisive role in facilitating water formation. Such unprecedented surface migration of OHad is induced by the large discrepancy between the local surface charge densities and interfacial environments of the Ni3C and Ni components under operating conditions. Benefiting from this, the resultant Ni3C-Ni exhibited outstanding mass activity for the alkaline HOR, which was approximately 19-fold and 21-fold higher than those of Ni and Ni3C, respectively. These findings not only provide novel insights into the alkaline HOR mechanism of heterostructured catalysts but also open new avenues for developing advanced electrocatalysts for alkaline fuel cells.

Advances in hybrid strategies for enhanced photocatalytic water splitting: Bridging conventional and emerging methods

Significant efforts have been dedicated to hydrogen production through photocatalytic water splitting (PWS) over the past five decades. However, achieving commercially viable solar-to-hydrogen conversion efficiency in PWS systems remains elusive. These systems face intrinsic and extrinsic challenges, such as inadequate light absorption, insufficient charge separation, limited redox active sites, low surface area, and scalability issues in practical designs. To address these issues, conventional strategies including heterojunction engineering, plasmonics, hybridization, lattice defects, sensitization, and upconversion processes have been extensively employed. More recently, innovative hybrid strategies like photonic crystal-assisted and polarization field-assisted PWS have emerged, which improve light absorption and charge separation by harnessing the slow photon effect, multiple light scattering, and the piezoelectric, pyroelectric, and ferroelectric properties of materials. This review article aims to provide a comprehensive examination and summary of these new synergistic hybrid approaches, integrating plasmonic effects, upconversion processes, and photonic crystal photocatalysis. It also explores the role of temperature in suppressing exciton recombination during photothermic photocatalysis. This article also highlights emerging strategies such as the effects of magnetic fields, periodic illumination, many-body large-hole polaron, and anapole excitations, which hold significant potential to advance PWS technology and facilitate renewable hydrogen generation.

Enhancing CO2 photoreduction efficiency with MXene-modified ZnO@Co3O4 double heterojunction

The photocatalytic reduction of CO2 into energy carriers holds significant industrial appeal, but achieving this process kinetically remains challenging due to the lack of well-designed catalysts. This study presents a novel 2D/3D nanostructured photocatalyst, developed by attaching a few-layer Ti3C2 MXene to polyethylenimine (PEI)-modified ZnO@CO3O4 nanocages, which are derived from a bimetallic zinc-cobalt ZIF. The resulting Mx-PEI-ZnO@Co3O4 catalyst achieved impressive yields of CO and CH4 at 594.37 and 42.67μmol g−1h−1, respectively, without the need for sacrificial agents and photosensitizers, and maintained remarkable stability across multiple cycles. These yields represent the highest performance for ZnO-based catalysts to date, with quantum efficiency at 380 nm reached up to 25.06 %. The unique S-scheme and Mott-Schottky junctions, along with enhanced CO2 adsorption and hydrogen-bond interactions facilitated by the conductive PEI within the Ti3C2/ZnO/Co3O4 double heterojunctions, effectively inhibit electron-hole recombination and significantly enhance CO2 photoreduction performance. This study underscores the combined benefits of double heterojunction engineering, PEI-functionalized CO2 uptake, and MXene co-catalyst integration within a single system, proposing a new approach for designing highly efficient photocatalysts for solar-driven CO2 reduction in energy-efficient fuel production.

Enhanced Photocatalytic Properties and Photoinduced Crystallization of TiO2-Fe2O3 Inverse Opals Fabricated by Atomic Layer Deposition.

The use of solar energy for photocatalysis holds great potential for sustainable pollution reduction. Titanium dioxide (TiO2) is a benchmark material, effective under ultraviolet light but limited in visible light utilization, restricting its application in solar-driven photocatalysis. Previous studies have shown that semiconductor heterojunctions and nanostructuring can broaden the TiO2's photocatalytic spectral range. Semiconductor heterojunctions are interfaces formed between two different semiconductor materials that can be engineered. Especially, type II heterojunctions facilitate charge separation, and they can be obtained by combining TiO2 with, for example, iron(III) oxide (Fe2O3). Nanostructuring in the form of 3D inverse opals (IOs) demonstrated increased TiO2 light absorption efficiency of the material, by tailoring light-matter interactions through their photonic crystal structure and specifically their photonic stopband, which can give rise to a slow photon effect. Such effect is hypothesized to enhance the generation of free charges. This work focuses on the above-described effects simultaneously, through the synthesis of TiO2-Fe2O3 IOs via multilayer atomic layer deposition (ALD) and the characterization of their photocatalytic activities. Our results reveal that the complete functionalization of TiO2 IOs with Fe2O3 increases the photocatalytic activity through the slow photon effect and semiconductor heterojunction formation. We systematically explore the influence of Fe2O3 thickness on photocatalytic performance, and a maximum photocatalytic rate constant of 1.38 ± 0.09 h-1 is observed for a 252 nm template TiO2-Fe2O3 bilayer IO consisting of 16 nm TiO2 and 2 nm Fe2O3. Further tailoring the performance by overcoating with additional TiO2 layers enhances photoinduced crystallization and tunes photocatalytic properties. These findings highlight the potential of TiO2-Fe2O3 IOs for efficient water pollutant removal and the importance of precise nanostructuring and heterojunction engineering in advancing photocatalytic technologies.

Controlling charge migration and CO2 conversion through surface decoration of 2D-hydrotalcite on bismuth oxybromide for enhanced artificial photosynthesis

Photocatalytic reduction of CO2 in pure H2O media to produce chemicals presents an appealing avenue for simultaneously alleviating energy and environmental crises. However, the rapid recombination of photogenerated charge carriers presents a significant challenge in this promising field. Heterojunction engineering has emerged as an effective approach to address this dilemma. Here, by decorating 2D NiAl-layered double hydroxides (NAL) onto bismuth oxybromide (BOB), we have created a S-scheme heterojunction (N1B1 composite). This catalyst affords CO2-to-CO yields of 102.30 μmol g−1 with a selectivity of 100 %. Ultraviolet photoelectron spectroscopy (UPS) and in-situ irradiated X-ray photoelectron spectroscopy (ISI-XPS) reveal that charge transfer occurs efficiently from BOB to 2D-NAL upon light irradiation. The designed N1B1 heterojunction achieves 7.3-fold and 2.1-fold increase in the internal electric field strength compared to bare 2D-NAL and BOB, respectively, which should be accountable for the improved charge migration. Additionally, pulsed chemisorption and in-situ Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) show the presence of multiple carbonate intermediates with activated OCO bonds upon N1B1 composite, with *CO2− being identified as the most crucial species for CO production.

Surface reconstruction of defect-engineered MIL-88@Fe2O3 p-n heterojunction for enhanced electrocatalytic water and urea oxidation

Defective p-n heterojunction engineering has been under the spotlighted as a promising strategy for electrochemical oxygen evolution reaction (OER) and urea oxidation reaction (UOR). Still, it remains a great challenge how to use the space-charge region of p-n heterojunction to study the regulation mechanism of the p-n heterogeneous interface and vacancy defects on the incomplete self-reconstruction from pristine materials to (oxy)hydroxides. Herein, NH2-MIL-88b(Fe)/α-Fe2O3 p-n heterojunction with rich oxygen vacancies (denoted as p-n MIL-88@Fe2O3-OV) has been prepared using a simple one-step solvothermal method. The prepared catalyst exhibits promising electrocatalytic performance for OER and UOR, requiring low potentials of 1.50 and 1.35 V to reach the current density of 10 mA cm−2, respectively. The combined in-situ/ex-situ experimental and theoretical investigations unveil that p-n heterojunction engineering can not only facilitate charge transfer from n-type α-Fe2O3 to p-type NH2-MIL-88b(Fe) (denoted as MIL-88) and generate abundant oxygen vacancies, but also appreciably trigger phase transformation of MIL-88 into active FeOOH. The reconstructed FeOOH/α-Fe2O3 heterojunction optimizes the bonding strength towards key oxygen-containing intermediates and boosts the intrinsic activity. This work provides new insight into the self-reconstruction effect in the p-n heterojunction for enhancing the OER and UOR catalytic activity.

Efficient cleavage of C-C bond in lignin adopting Z-scheme heterojunction photocatalyst by g-C3N4/CQDs/WO3

It is a practical approach to overcome the shortage of energy and environmental pollution simultaneously if obtaining useful products from biomass through chemical decomposition. Photocatalytic depolymerization of lignin to generate high value-added chemicals has received extensive attention for decades. The low yield of aromatic monomers is still one of the urgent problems to be solved. Selective breakage of Cα-Cβ bonds in lignin is of importance to improve the yield of aromatic monomers. Herein, Z-scheme heterojunction g-C3N4/CQDs/WO3 was constructed by combining graphite-like carbon nitride (g-C3N4), tungsten oxide (WO3) with carbon quantum dots (CQDs) to break the C-C bond selectively in β-O-4 model compounds. Both the efficiencies of substrate conversion and selectivity of C-C bond cleavage reached to 99 %. As a result, the total yield of benzaldehyde and benzoic acid attained to 83.92 %. Furthermore, the photocatalyst has satisfactory effect on depolymerization of four types of lignin, while the heterojunction can validly reduce the recombination rate of photogenerated carriers. Additionally, CQDs broadens the light absorption range and enhances the mobility of photogenerated carriers. Consequently, this study provides a feasible idea for highly selective cleavage of lignin C-C bonds through heterojunction engineering.

Improved glyceraldehyde generation through FeOOH co-catalysts-modified BiVO4 featuring Bi-O-Fe active sites for photoelectrocatalytic glycerol oxidation

Heterojunction engineering is crucial for converting glycerol into valuable organic compounds via photoelectrochemistry, but controlling the structure precisely to enhance conversion efficiency remains challenging. In this study, we effectively created a compound photoanode with unique active regions by growing amorphous FeOOH co-catalysts on BiVO4. The results revealed that the Fe2+ ions located on the surface of the co-catalyst FeOOH facilitate the glycerol transformation process, whereas the electron-rich Bi-O-Fe sites contribute significantly to the preferential transformation of glycerol into glyceraldehyde. These sites not only serve as primary reactive centers, catalyzing the adsorption and conversion of glycerol hydroxyl clusters, but also act as repositories for trapping holes. This dual function accelerates the breaking of CH bonds to generate glycerol aldehyde and exhibits excellent desorption capacity, ensuring exceptional product selectivity. This led to exceptional glyceraldehyde production (709mmol m-2 h−1) compared to pristine BiVO4, showcasing a 14.98-fold increase.

Design Photocatalysts to Boost Carrier Dynamics in Plastics Photoconversion into Fuels.

Solar-driven plastics conversion into valuable fuels has attracted broad attention in recent years, which has enormous potential for plastics recycling in the future. However, it usually encounters low conversion efficiency, where one of the reasons is attributed to the poor carrier dynamics in the photocatalytic process. In this Perspective, we critically review the developed strategies, involving defect engineering, doping engineering, heterojunction engineering, and composite construction, for boosted carrier separation efficiency. In addition, we provide an outlook for more potential strategies to engineer catalysts for promoted carrier dynamics. Finally, we also propose prospects for the future research direction of plastics photoconversion into fuels.

A novel Type-II Bi-based oxyhalide: Bi4O5I2/BiOBr microspheres for improved photocatalytic performance

Enhancing the oxidation and reduction capabilities of semiconductor catalysts through Type-II heterojunction engineering is a viable approach. A new photocatalytic material, Bi4O5I2/BiOBr, has been successfully developed by integrating Bi4O5I2 into the structure of BiOBr using a straightforward solvothermal technique. The significantly reducing electrons of Bi4O5I2 and the initially strongly oxidizing holes of BiOBr are effectively preserved in the hybrid material through a Type-II heterojunction. The formation of a heterostructure facilitates the movement and separation of photogenerated carriers. The 0.3 wt% Bi4O5I2/BiOBr exhibited the highest catalytic activity for degrading organic pollutants under visible light, with •O2− and h+ as the primary active species. The mechanism preserves the charge carrier's robust redox capability by utilizing the remarkably stable and reusable Bi4O5I2/BiOBr composite material for environmental protection. A hypothesis was proposed regarding the potential performance of Bi4O5I2/BiOBr under visible light mechanisms as direct Type-II heterojunction photocatalytic materials.

Scatalysis: Exploring the mechanism of photocatalytic algal removal

Photocatalytic algal removal is an environmentally friendly and low-cost algal bloom control technology. In this work, carbon nitride nanosheets based on morphology control were synthesized, and a ternary Z-scheme photocatalyst was designed through heterojunction engineering for photocatalytic removal of harmful algae and their organic matter, and the removal rate of chlorophyll a was close to 100 % in 300 min. Three-dimensional fluorescence spectrograms and cellular SEM maps revealed the removal of algae and their organic matter, and the mechanism of Ag/AgCl/ZIF-8/SCN photocatalytic algal removal was explored in conjunction with the changes in membrane permeability and various physiological functions. Mechanistic studies showed that excess O2·− played a crucial role in cell inactivation and organic matter degradation. Oxidative stress caused by O2·− promoted the accumulation of H2O2 in cells and accelerates cell death. This study provides new ideas and support for the application of harmful algal bloom control and the mechanism of algal cell inactivation in real water bodies.

Versatile Separators Toward Advanced Lithium-Sulfur Batteries: Status, Recent Progress, Challenges and Perspective.

Lithium-sulfur batteries (LSBs) have recently gained extensive attention due to their high energy density, low cost, and environmental friendliness. However, serious shuttle effect and uncontrolled growth of lithium dendrites restrict them from further commercial applications. As "the third electrode", functional separators are of equal significance as both anodes and cathodes in LSBs. The challenges mentioned above are effectively addressed with rational design and optimization in separators, thereby enhancing their reversible capacities and cycle stability. The review discusses the status/operation mechanism of functional separators, then primarily focuses on recent research progress in versatile separators with purposeful modifications for LSBs, and summarizes the methods and characteristics of separator modification, including heterojunction engineering, single atoms, quantum dots, and defect engineering. From the perspective of the anodes, distinct methods to inhibit the growth of lithium dendrites by modifying the separator are discussed. Modifying the separators with flame retardant materials or choosing a solid electrolyte is expected to improve the safety of LSBs. Besides, in-situ techniques and theoretical simulation calculations are proposed to advance LSBs. Finally, future challenges and prospects of separator modifications for next-generation LSBs are highlighted. We believe that the review will be enormously essential to the practical development of advanced LSBs.

Oxygen vacancy-engineered P-doped MoO3/Ce2Mo4O15 bimetallic heterojunction nanosheet array for enhanced oxygen evolution reaction

Surface oxygen vacancies in defective metals have the capacity to enhance oxygen evolution reaction (OER) activity but easily suffer from instability and deactivation in continuous electrocatalysts. Heterojunction engineering is important for achieving effective catalysis, but its simultaneous engineering remains a challenge. Therefore, it is necessary to develop an effective heterojunction catalyst to improve the electrocatalytic stability of defective metallic oxygen vacancies. In this work, we report a Ce, Mo bimetallic defective heterojunction P-MoO3/Ce2Mo4O15@NF-1 via a facile one-step hydrothermal method and annealing in a tube furnace. Bimetallic oxide heterojunctions offer several advantages over conventional single-metal heterojunctions, including stable structure, more active sites, faster rates of electron transfer, and less pollution of the environment. Meanwhile, P-doped catalyst could enhance the metallicity significantly. In addition, the prepared catalyst P-MoO3/Ce2Mo4O15@NF-1 showed extraordinary catalytic activity for OER in alkaline media. The overpotential and Tafel slope of the catalyst at a current density of 50 mA cm-2 were 270 mV and 87.27 mV dec‑1, respectively. It maintains an impressive balance between electrocatalytic activity and stability. This research explores the co-effects of Ce and Mo bimetallic oxide in defective electrocatalysts and also provides ideas for designing OER catalysts with defective metal heterojunctions.

Directional Electron Transfer in CuInS2/Mo2S3 S-Scheme Heterojunctions for Efficient Photocatalytic Hydrogen Production.

The photocatalytic conversion of solar energy to hydrogen is a promising pathway toward clean fuel production, yet it requires advancement to meet industrial-scale demands. This study demonstrates that the interface engineering of heterojunctions is a viable strategy to enhance the photocatalytic performance of CuInS2/Mo2S3. Specifically, CuInS2 nanoparticles are incorporated into Mo2S3 nanospheres via a wet impregnation technique to form an S-scheme heterojunction. This configuration facilitates directional electron transfer, optimizing electron utilization and fostering efficient photocatalytic processes. The presence of an S-scheme heterojunction in CuInS2/Mo2S3 is corroborated by in situ irradiation X-ray photoelectron spectroscopy and density functional theory analyses, which confirm the directional movement of electrons at the interface of heterojunction. Comprehensive characterization of the heterojunction photocatalyst, including phase, structural, and photoelectric property assessments, reveals a significant specific surface area and light absorption capability. These attributes augment the number of active sites available in CuInS2/Mo2S3 for proton reduction reactions. This study offers a pragmatic approach for designing metal sulfide-based photocatalysts via strategic interface engineering, potentially advancing the field toward sustainable hydrogen production.

Heterogeneous Cr-doped Co3S4/NiMoS4 bifunctional electrocatalyst for efficient overall water splitting

Exploration of efficient and robust catalysts for electrocatalytic water splitting is paramount yet challenging for economical hydrogen production. Here, nanoforest-like heterostructures composed of inner NiMoS4 nanowires and outer Cr-doped Co3S4 nanosheets were grown on nickel foams (Cr–Co3S4/NiMoS4) as highly efficient bifunctional electrocatalysts. As a result, Cr–Co3S4/NiMoS4 heterostructures exhibit low overpotentials of 72 mV and 243 mV for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) at 10 mA cm−2, respectively. Moreover, the water electrolyzer assembled by Cr–Co3S4/NiMoS4 as bifunctional electrodes reaches 10 mA cm−2 at 1.587 V and maintains exceptional stability over 200 h. The experimental and theoretical characterizations collectively unveil that the charge redistribution occurs at the heterointerface between Cr-doped Co3S4 and NiMoS4, resulting in the regulation of both their electronic structures, which optimizes the adsorption of HER intermediates and decreases the energy barrier of determining step for OER. Additionally, the Cr doping and nanoforest-like morphology increase the intrinsic conductivity and the exposure of active sites, collectively improving the water electrolysis efficiency. This finding presents a promising way to construct and adjust the heterojunction engineering for bifunctional electrocatalysts toward water electrolysis.

Synergistic defect and heterojunction engineering of carbonized MOF@MoS2 for self-powered sensing micro-system with photothermal therapy

Electrically conductive hydrogel with photothermal therapy (PTT) is highly desired in assembling self-powered sensing micro-system for personalized healthcare. However, the poor electrical conductivity and low photothermal conversion efficiency (PCE) of carbonized metal–organic framework (CMOF) restricted their practical application. Herein, a unique CMOF@MoS2 heterojunction with abundant defects was elaborately designed via the in situ growth of MoS2 on CMOF for constructing functional hydrogel. The presence of numerous defective sites in MoS2 thin layer accelerated the electrons transport, accompanied with the enhanced electrical conductivity of CMOF@MoS2 hydrogel. Moreover, originating from the spontaneous electrons transfer from MoS2 to CMOF due to the difference of work function, the built-in electric field at CMOF@MoS2 interface driven the fast separation of electron-hole in MoS2 excited by photon, boosting the PCE and PTT performances. When CMOF@MoS2 hydrogel was assembled into micro-system, the flexible sensors delivered ultra-sensitivity (GF = 97.1), fast response behavior (23 ms) and excellent durability over 10,000 cycles. After healthcare monitoring, the damaged tissues can be effectively and timely healed under near-infrared laser irradiation. Our findings provided a sort of novel strategy to rational design and construct advanced sensing micro-system with excellent PTT behavior.

0D/1D CuWO4/Mn0.3Cd0.7S S-scheme heterojunctions for full-spectrum bifunctional photocatalytic degradation and hydrogen production

Integrating photocatalytic oxidation for pollutant removal with hydrogen production via photocatalysis presents a promising approach for sustainable water purification and renewable energy generation, circumventing the sluggish multi-electron transfer inherent in photocatalytic water oxidation. This study introduces novel zero-/one-dimensional (0D/1D) CuWO4/Mn0.3Cd0.7S step-scheme (S-scheme) heterojunctions that exhibit exceptional bifunctional capabilities in photocatalytic degradation and hydrogen production under full-spectrum illumination. The degradation efficiency for tetracycline (TC) using 5 %-CuWO4/Mn0.3Cd0.7S reaches 94.3 % and 94.5 % within 60 min and 6 h, respectively, under ultraviolet–visible (UV–Vis) and near-infrared (NIR) light. Notably, these 0D/1D CuWO4/Mn0.3Cd0.7S S-scheme heterojunctions demonstrate superior hydrogen production, achieving rates of 12442.03 μL g-1h−1 and 2418.54 μL g-1h−1 under UV–Vis light and NIR light irradiation, respectively—these rates are 2.3 times and 55.2 times higher than that of Mn0.3Cd0.7S alone. This performance enhancement is attributed to the intrinsic dimensional effects, transitions of transition metal d-d orbitals, and S-scheme hole/electron (h+/e−) separation characteristics. Additionally, experimental results and density functional theory (DFT) calculations have clarified the modulation of electronic configurations, band alignment, and interfacial interactions via 0D/1D S-scheme heterojunction engineering. This study sheds light on the electron transfer mechanism within S-scheme heterojunction and enhances the effectiveness, economy, and sustainability of recalcitrant pollutant removal and hydrogen production.

A dual S-scheme heterojunction SrTiO3/SrCO3/C-doped TiO2 as H2 production photocatalyst and its charge transfer mechanism

Constructing an S-scheme heterojunction is a highly effective approach for enhancing photocatalytic performance. However, the impact of a single S-scheme heterojunction on charge transfer is limited. To overcome this constraint, a dual S-scheme heterojunction, SrTiO3/SrCO3/C-doped TiO2 (referred to as ST/SC/CT), is designed for UV-vis-driven hydrogen production. The mass-normalized and effective surface area-normalized hydrogen production activities of ST/SC/CT are higher than those of ST and CT, respectively. The enhancement in photocatalytic performance is primarily attributed to the improved separation and transfer of photogenerated charge carriers by the dual S-scheme heterojunction. Moreover, C-doping effectively extends the light absorption range from UV to visible and greatly improves the absorption intensity. The heterojunction and charge transfer mechanism are also investigated through microscopy and spectroscopic techniques, as well as density functional theory (DFT) calculations. This work offers valuable insights for the design of novel composites by combining surface modification with heterojunction engineering.