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Keywords = S-type heterojunctions

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16 pages, 23912 KiB  
Article
First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects
by Zhe Zhang, Jiahui Li, Xiaopei Xu and Guodong Shi
Nanomaterials 2025, 15(15), 1174; https://doi.org/10.3390/nano15151174 - 30 Jul 2025
Viewed by 200
Abstract
Constructing heterojunctions can combine the superior performance of different two-dimensional (2D) materials and eliminate the drawbacks of a single material, and modulating heterojunctions can enhance the capability and extend the application field. Here, we investigate the physical properties of the heterojunctions formed by [...] Read more.
Constructing heterojunctions can combine the superior performance of different two-dimensional (2D) materials and eliminate the drawbacks of a single material, and modulating heterojunctions can enhance the capability and extend the application field. Here, we investigate the physical properties of the heterojunctions formed by the contact of different atom planes of Janus MoSSe (JMoSSe) and graphene (Gr), and regulate the Schottky barrier of the Gr/JMoSSe heterojunction by the number of layers and the electric field. Due to the difference in atomic electronegativity and surface work function (WF), the Gr/JSMoSe heterojunction formed by the contact of S atoms with Gr exhibits an n-type Schottky barrier, whereas the Gr/JSeMoS heterojunction formed by the contact of the Se atoms with Gr reveals a p-type Schottky barrier. Increasing the number of layers of JMoSSe allows the Gr/JMoSSe heterojunction to achieve the transition from Schottky contact to Ohmic contact. Moreover, under the control of an external electric field, the Gr/JMoSSe heterojunction can realize the transition among n-type Schottky barrier, p-type Schottky barrier, and Ohmic contact. The physical mechanism of the layer number and electric field modulation effect is analyzed in detail by the change in the interface electron charge transfer. Our results will contribute to the design and application of nanoelectronics and optoelectronic devices based on Gr/JMoSSe heterojunctions in the future. Full article
(This article belongs to the Section 2D and Carbon Nanomaterials)
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16 pages, 4296 KiB  
Article
Enhanced Photocathodic Protection Performance of TiO2/NiCo2S4 Composites for 304 Stainless Steel
by Honggang Liu, Hong Li, Xuan Zhang, Baizhao Xing, Zhuangzhuang Sun and Yanhui Li
Coatings 2025, 15(8), 874; https://doi.org/10.3390/coatings15080874 - 25 Jul 2025
Viewed by 295
Abstract
To address the corrosion of 304 stainless steel in marine environments, TiO2/NiCo2S4 composite photoanodes were fabricated via anodic oxidation and hydrothermal methods. X-ray diffraction, scanning electron microscope, energy-dispersive x-ray spectroscopy, and x-ray photoelectron spectroscopy analyses indicated the growth [...] Read more.
To address the corrosion of 304 stainless steel in marine environments, TiO2/NiCo2S4 composite photoanodes were fabricated via anodic oxidation and hydrothermal methods. X-ray diffraction, scanning electron microscope, energy-dispersive x-ray spectroscopy, and x-ray photoelectron spectroscopy analyses indicated the growth of hexagonal NiCo2S4 particles on anatase TiO2 nanotube arrays, forming a type-II heterojunction. Spectroscopy of ultraviolet-visible diffuse reflectance absorption showed that NiCo2S4 extended TiO2’s light absorption into the visible region. Electrochemical tests revealed that under visible light, the composite photoanode decreased the corrosion potential of 304ss to −0.7 V vs. SCE and reduced charge transfer resistance by 20% compared to pure TiO2. The enhanced performance stemmed from efficient electron-hole separation and transport enabled by the type-II heterojunction. Cyclic voltammetry tests indicated the composite’s electrochemical active surface area increased 1.8-fold, demonstrating superior catalytic activity. In conclusion, the TiO2/NiCo2S4 composite photoanode offers an effective approach for marine corrosion protection of 304ss. Full article
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15 pages, 6418 KiB  
Article
Multifunctional Sensor for Strain, Pressure, and UV Light Detections Using Polyaniline and ZnO Nanostructures on a Flexible Substrate
by Seung-Woo Lee, Ju-Seong Lee, Hyeon-Wook Yu, Tae-Hee Kim and Hyun-Seok Kim
Polymers 2025, 17(13), 1825; https://doi.org/10.3390/polym17131825 - 30 Jun 2025
Viewed by 369
Abstract
Wearable sensors have rapidly advanced, enabling applications such as human activity monitoring, electronic skin, and biomimetic robotics. To meet the growing demands of these applications, multifunctional sensing has become essential for wearable devices. However, most existing studies predominantly focus on enhancing single-function sensing [...] Read more.
Wearable sensors have rapidly advanced, enabling applications such as human activity monitoring, electronic skin, and biomimetic robotics. To meet the growing demands of these applications, multifunctional sensing has become essential for wearable devices. However, most existing studies predominantly focus on enhancing single-function sensing capabilities. This study introduces a multifunctional sensor that combines high stretchability for strain and pressure detection with ultraviolet (UV) sensing capability. To achieve simultaneous detection of strain, pressure, and UV light, a multi-sensing approach was employed: a capacitive method for strain and pressure detections and a resistive method utilizing a pn-heterojunction diode for UV detection. In the capacitive method, polyaniline (PANI) served as parallel-plate electrodes, while silicon-based elastomer acted as the dielectric layer. This configuration enabled up to 100% elongation and enhanced operational stability through encapsulation. The sensor demonstrated a strong linear relationship between capacitance value changes reasonably based on the area of PANI, and showed a good linearity with an R-squared value of 0.9918. It also detected pressure across a wide range, from low (0.4 kPa) to high (9.4 kPa). Furthermore, for wearable applications, the sensor reliably captured capacitance variations during finger bending at different angles. For UV detection, a pn-heterojunction diode composed of p-type silicon and n-type zinc oxide nanorods exhibited a rapid response time of 6.1 s and an on/off ratio of 13.8 at −10 V. Durability under 100% tensile strain was confirmed through Von Mises stress calculations using finite element modeling. Overall, this multifunctional sensor offers significant potential for a variety of applications, including human motion detection, wearable technology, and robotics. Full article
(This article belongs to the Special Issue Polymer Thin Films: Synthesis, Characterization and Applications)
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15 pages, 4917 KiB  
Article
Synergistic Integration of g-C3N4 with SnS: Unlocking Enhanced Photocatalytic Efficiency and Electrochemical Stability for Dual-Functional Applications
by Aya Ahmed, Farid M. Abdel-Rahim, Fatemah H. Alkallas, Amira Ben Gouider Trabelsi, Shoroog Alraddadi and Abdelaziz M. Aboraia
Catalysts 2025, 15(7), 629; https://doi.org/10.3390/catal15070629 - 27 Jun 2025
Viewed by 428
Abstract
The synthesis of graphitic carbon nitride (g-C3N4) coupled with tin sulfide (SnS) has been identified as an effective method for improving the photocatalytic and electrochemical performance of SnS, a promising material for environmental and energy-related applications. In this study, [...] Read more.
The synthesis of graphitic carbon nitride (g-C3N4) coupled with tin sulfide (SnS) has been identified as an effective method for improving the photocatalytic and electrochemical performance of SnS, a promising material for environmental and energy-related applications. In this study, we focused on how g-C3N4 influences the structural, optical, electrochemical, and functional properties of SnS. XRD and FTIR confirmed the formation of SnS/g-C3N4 heterostructure, while surface morphology analysis by SEM showed proper dispersion of SnS particles over g-C3N4 with a good interface contact. The SnS/g-C3N4 composite itself demonstrated improved photocatalytic performance, with the degradation rate of methylene blue reaching approximately 94% under visible light irradiation compared to the moderate activity of SnS. This enhancement can be credited to the successful charge carrier separation enabled by the type II heterojunction created between SnS and g-C3N4. Moreover, the composite presented improved electrochemical activity with a specific capacitance of 1340 F·g−1 at a scan rate of 10 A·g−1 and good cycling stability, where the capacitance was 92% after 5000 cycles. As such, these SnS/g-C3N4 composites suggest the specific application of this class of material in photocatalytic degradation as well as energy storage, putting forward new effective resolutions to environmental and energy issues. Full article
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17 pages, 3361 KiB  
Article
SnS2-TiO2 Heterojunction Designed for Reductive Degradation of Contaminants of Emerging Concern
by Suresh Kumar Pandey, Sandra Romac, Josipa Papac Zjačić, Marijana Kraljić Roković, Marin Kovačić, Hrvoje Kušić, Boštjan Žener, Boštjan Genorio, Urška Lavrenčič Štangar and Ana Lončarić Božić
Nanomaterials 2025, 15(13), 969; https://doi.org/10.3390/nano15130969 - 22 Jun 2025
Viewed by 503
Abstract
Contaminants of emerging concern (CECs), including pharmaceuticals and perfluorinated compounds, pose a growing threat to water quality due to their persistence and resistance to conventional treatment methods. In this context, photocatalytic processes capable of promoting both oxidative and reductive transformations have attracted increasing [...] Read more.
Contaminants of emerging concern (CECs), including pharmaceuticals and perfluorinated compounds, pose a growing threat to water quality due to their persistence and resistance to conventional treatment methods. In this context, photocatalytic processes capable of promoting both oxidative and reductive transformations have attracted increasing attention. This study explores the synthesis and performance of a SnS2-TiO2 heterojunction photocatalyst, designed to facilitate such reactions under solar and UV-A light. The composite was synthesized via the hydrothermal method and thoroughly characterized for its morphological, structural, surface, and semiconducting properties. The results confirmed the formation of a type-II heterojunction with improved visible-light absorption and suppressed charge recombination. Photoelectrochemical measurements indicated enhanced charge separation and favorable band-edge alignment for reductive processes. Photocatalytic experiments with amoxicillin (AMX) and perfluorooctanoic acid (PFOA) revealed distinct degradation behaviors: AMX was predominantly degraded via superoxide-mediated reductive pathways, whereas PFOA exhibited limited transformation, likely proceeding via a combination of oxidative and reductive mechanisms. While overall removal efficiencies were moderate, this study highlights the role of band structure engineering and heterojunction design in tailoring photocatalytic behavior. The SnS2-TiO2 system serves as a promising platform for further development of composite materials to address the challenge of CECs in water treatment. Full article
(This article belongs to the Section Nanocomposite Materials)
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18 pages, 2436 KiB  
Article
Photoelectrochemical and Photocatalytic Properties of SnS/TiO2 Heterostructure Thin Films Prepared by Magnetron Sputtering Method
by Yaoxin Ding, Jiahao Leng, Mingyang Zhang and Jie Shen
Inorganics 2025, 13(7), 208; https://doi.org/10.3390/inorganics13070208 - 20 Jun 2025
Viewed by 337
Abstract
Tin(II) sulfide(SnS)/titanium(IV) oxide (TiO2) heterostructure thin films were prepared by radio-frequency magnetron sputtering to investigate the enhancement effect of the formed heterojunction on the photocatalytic performance. By adjusting the sputtering time to vary the thickness of the SnS layer, the crystallinity [...] Read more.
Tin(II) sulfide(SnS)/titanium(IV) oxide (TiO2) heterostructure thin films were prepared by radio-frequency magnetron sputtering to investigate the enhancement effect of the formed heterojunction on the photocatalytic performance. By adjusting the sputtering time to vary the thickness of the SnS layer, the crystallinity and light-absorption properties of the light-absorbing layer and the quality of the heterojunction interface were effectively controlled, thereby optimizing the fabrication process of the heterojunction. It was found that when the SnS layer thickness was 244 nm and the TiO2 layer thickness was 225 nm, the heterostructure film exhibited optimal photoelectrochemical performance, generating the highest photocurrent of 3.03 µA/cm2 under visible light, which was 13.8 times that of a pure TiO2 film and 2.4 times that of a pure SnS film of the same thickness. Additionally, it demonstrated the highest degradation efficiency for methylene blue dye. The improved photoelectrochemical performance of the SnS/TiO2 heterostructure film can be primarily attributed to the following: (1) the incorporation of narrow-bandgap SnS effectively broadens the light-absorption range, improving visible-light harvesting; (2) the staggered band alignment between SnS and TiO2 forms a type-II heterojunction, significantly enhancing the charge carrier separation and transport efficiency. The present work demonstrated the feasibility of magnetron sputtering for constructing high-quality SnS/TiO2 heterostructures, providing insights into the design and fabrication of photocatalytic heterojunctions. Full article
(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials, 3rd Edition)
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16 pages, 2357 KiB  
Article
Levelized Cost of Energy (LCOE) of Different Photovoltaic Technologies
by Maria Cristea, Ciprian Cristea, Radu-Adrian Tîrnovan and Florica Mioara Șerban
Appl. Sci. 2025, 15(12), 6710; https://doi.org/10.3390/app15126710 - 15 Jun 2025
Viewed by 827
Abstract
Renewable energy sources are critical to the global effort to achieve carbon neutrality. Alongside hydropower, wind and nuclear plants, the photovoltaic (PV) systems developed greatly, with new PV technologies emerging in recent years. Although the conversion efficiencies are improving and the materials used [...] Read more.
Renewable energy sources are critical to the global effort to achieve carbon neutrality. Alongside hydropower, wind and nuclear plants, the photovoltaic (PV) systems developed greatly, with new PV technologies emerging in recent years. Although the conversion efficiencies are improving and the materials used have a lower impact on the environment, the feasibility of these technologies is required to be assessed. This paper proposes a levelized cost of energy (LCOE) model to assess the feasibility of five PV technologies: high-efficiency silicon heterojunction cells (HJT), N-type monocrystalline silicon cells (N-type), P-type passivated emitter and rear contact cells (PERC), N-type tunnel oxide passivated contact cells (TOPCon) and bifacial TOPCon. The LCOE considers capital investment, government incentives, operation and maintenance costs, residual value of PV modules and total energy output during the PV system’s life span. To determine the influence of PV system’s capacity over the LCOE values, three systems are analyzed for each technology: 3 kW, 5 kW and 7 kW. The results show that the largest PV systems have the lowest LCOE values, ranging from 2.39 c€/kWh (TOPCon) to 2.92 c€/kWh (HJT) when incentives are accessed, and ranging from 6.05 c€/kWh (TOPCon) to 6.51 c€/kWh (HJT) without subsidies. The 3 kW and 5 kW PV systems have higher LCOE values due to lower energy output during lifetime. Full article
(This article belongs to the Topic Clean Energy Technologies and Assessment, 2nd Edition)
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15 pages, 4266 KiB  
Article
Co-Catalyst-Free Al6Si2O13/Cd8.05Zn1.95S10 Nanocomposites for Visible-Light-Driven Stable H2 Evolution and DDVP Degradation
by Zhenhua Li, Aoyun Meng, Wen Li, Guoyuan Xiong, Mingfu Ye, Yaqiang Meng and Zhen Li
Catalysts 2025, 15(6), 564; https://doi.org/10.3390/catal15060564 - 5 Jun 2025
Viewed by 496
Abstract
The design of efficient and stable visible-light-driven photocatalysts is paramount for sustainable hydrogen (H2) evolution and the degradation of organophosphorus pesticides, exemplified by dichlorvos (DDVP). In this work, we synthesized a co-catalyst-free nanocomposite photocatalyst composed of Al6Si2O [...] Read more.
The design of efficient and stable visible-light-driven photocatalysts is paramount for sustainable hydrogen (H2) evolution and the degradation of organophosphorus pesticides, exemplified by dichlorvos (DDVP). In this work, we synthesized a co-catalyst-free nanocomposite photocatalyst composed of Al6Si2O13 (ASO) and Cd8.05Zn1.95S10 (ZCS). By constructing a Type-I heterojunction, the optimized ASO/ZCS-1 nanocomposite (ASO loading ratio: 30%) enhanced visible-light-driven H2 evolution activity (5.1 mmol g−1 h−1), nearly doubling that of pristine ZCS (2.7 mmol g−1 h−1). Stability assessments revealed catalytic durability for ASO/ZCS-1 over five successive cycles, whereas the activity of pure ZCS precipitously declined to 59.7% of its initial level. Additionally, ASO, ZCS, and ASO/ZCS-2 (ASO loading ratio: 50%) demonstrated notable photocatalytic efficiency toward DDVP degradation without any co-catalyst, reducing DDVP concentration to 56.2% (ASO), 18.9% (ASO/ZCS-2), and 38.4% (ZCS), with corresponding degradation stability of 93.8%, 95.1%, and 93.8%, respectively. These results underscore the superior photocatalytic activity and stability of ASO, ZCS, and ASO/ZCS in the remediation of organophosphorus pesticides, with the Type-I heterojunction structure of ASO/ZCS enhancing both degradation activity and stability. Comprehensive characterizations by X-ray photoelectron spectroscopy (XPS), ultraviolet–visible diffuse reflectance spectroscopy (UV–vis DRS), and differential charge density analyses verified the Type-I heterojunction charge-transfer mechanism, effectively suppressing charge recombination and thus improving photocatalytic performance. Consequently, ASO/ZCS nanocomposites exhibit significant promise for broad applications in sustainable H2 production, pollutant degradation, and ensuring food and agricultural product safety. Full article
(This article belongs to the Special Issue Recent Developments in Photocatalytic Hydrogen Production)
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14 pages, 4067 KiB  
Article
Thin Films of PNDI(2HD)2T and PCPDTBT Polymers Deposited Using the Spin Coater Technique for Use in Solar Cells
by Michał Sładek, Patryk Radek, Magdalena Monika Szindler and Marek Szindler
Coatings 2025, 15(5), 603; https://doi.org/10.3390/coatings15050603 - 18 May 2025
Viewed by 470
Abstract
Conductive polymers play a crucial role in the advancement of modern technologies, particularly in the field of organic photovoltaics (OPVs). Due to advantages such as flexibility, low specific weight, ease of processing, and low production costs, polymeric materials present an attractive alternative to [...] Read more.
Conductive polymers play a crucial role in the advancement of modern technologies, particularly in the field of organic photovoltaics (OPVs). Due to advantages such as flexibility, low specific weight, ease of processing, and low production costs, polymeric materials present an attractive alternative to traditional photovoltaic materials. This study investigates the properties of a polymer blend composed of PCPDTBT (donor) and PNDI(2HD)2T (acceptor), used as the active layer in bulk heterojunction (BHJ) solar cells. The motivation behind this research was the search for a novel n-type polymer material with potentially better properties than the commonly used P(NDI2OD-T2). Comprehensive characterization of thin films made from the individual polymers and their blend was conducted using Fourier Transform Infrared Spectroscopy (FTIR), Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), Ultraviolet-Visible Spectroscopy (UV-Vis), four-point probe conductivity measurements, and photovoltaic testing. The prepared films were continuous, uniform, and exhibited low surface roughness (Ra < 2.5 nm). Spectroscopic analysis showed that the blend absorbs light in a broad range of the spectrum, with slight bathochromic shifts compared to individual polymers. Electrical measurements indicated that the blend’s conductivity (9.1 µS/cm) was lower than that of pure PCPDTBT but higher than that of PNDI(2HD)2T, with an optical band gap of 1.34 eV. Photovoltaic devices fabricated using the blend demonstrated an average power conversion efficiency (PCE) of 6.45%, with a short-circuit current of 14.37 mA/cm2 and an open-circuit voltage of 0.89 V. These results confirm the feasibility of using PCPDTBT:PNDI(2HD)2T blends as active layers in BHJ solar cells and provide a promising direction for further optimization in terms of polymer ratio and processing conditions. Full article
(This article belongs to the Special Issue Recent Developments in Thin Films for Technological Applications)
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13 pages, 2272 KiB  
Article
Zn2GeO4@CeO2 Core@Shell Nanorods for Efficient Photocatalytic CO2 Reduction
by Jin Sun, Yunxia Bai, Xilan Feng, Dapeng Liu and Yu Zhang
Molecules 2025, 30(10), 2205; https://doi.org/10.3390/molecules30102205 - 18 May 2025
Viewed by 459
Abstract
The enduring problem of CO2 emissions and their consequent influence on the earth’s atmosphere has captured the attention of researchers. Photocatalytic CO2 reduction holds great significance; however, it is constrained by the effect of carrier recombination. Simultaneously, the structural modification of [...] Read more.
The enduring problem of CO2 emissions and their consequent influence on the earth’s atmosphere has captured the attention of researchers. Photocatalytic CO2 reduction holds great significance; however, it is constrained by the effect of carrier recombination. Simultaneously, the structural modification of heterojunction catalysts has emerged as a promising approach to boost the photocatalytic performance. Herein, Zn2GeO4@CeO2 core@shell nanorods were prepared by a simple self-assembly method for photocatalytic CO2 reduction. The thickness of the CeO2 shell can be regulated rapidly and conveniently. The photocatalytic results indicate that the structure regulation could affect the photocatalytic performance by controlling the amount of active sites and the shielding effect. X-ray photoelectron spectroscopy (XPS) and Mott–Schottky analyses reveal that Zn2GeO4 and CeO2 formed Type-I heterojunctions, which prolonged the lifetime of the photogenerated carriers. The CO2 adsorption and activation capacities of CeO2 also exert a beneficial influence on the progress of CO2 photoreduction, thus enabling efficient photocatalytic CO2 reduction. Moreover, the in situ FT-IR spectra show that Zn2GeO4@CeO2 suppresses the formation of byproduct intermediates and shows higher CO selectivity. The best sample of Zn2GeO4@0.07CeO2 can exhibit a CO yield of as high as 1190.9 μmol g−1 h−1. Full article
(This article belongs to the Section Materials Chemistry)
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14 pages, 3792 KiB  
Article
Photoelectric Performance of Two-Dimensional n-MoS2 Nanosheets/p-Heavily Boron-Doped Diamond Heterojunction at High Temperature
by Deyu Shen, Changxing Li, Dandan Sang, Shunhao Ge, Qinglin Wang and Dao Xiao
Int. J. Mol. Sci. 2025, 26(10), 4551; https://doi.org/10.3390/ijms26104551 - 9 May 2025
Viewed by 482
Abstract
Two-dimensional (2D) n-MoS2 nanosheets (NSs) synthesized via the sol–gel method were deposited onto p-type heavily boron-doped diamond (BDD) film to form a n-MoS2/p-degenerated BDD (DBDD) heterojunction device. The PL emission results for the heterojunction suggest strong potential for applications using [...] Read more.
Two-dimensional (2D) n-MoS2 nanosheets (NSs) synthesized via the sol–gel method were deposited onto p-type heavily boron-doped diamond (BDD) film to form a n-MoS2/p-degenerated BDD (DBDD) heterojunction device. The PL emission results for the heterojunction suggest strong potential for applications using yellow-light-emitting optoelectronic devices. From room temperature (RT) to 180 °C, the heterojunction exhibits typical rectification characteristics with good results for thermal stability, rectification ratio, forward current decrease, and reverse current increase. Compared with the n-MoS2/p-lightly B-doped (non-degenerate) diamond heterojunction, the heterojunction demonstrates a significant improvement in both its rectification ratio and ideal factor. At 100 °C, the rectification ratio reaches the maximum value and is considered an ideal high temperature for achieving optimal heterojunction performance. When the temperature exceeds 140 °C, the heterojunction transforms into the Zener diode. The heterojunction’s electrical temperature dependence is due to the Fermi level shifting resulting in the weakening of the carrier interband tunneling injection. The n-MoS2 NSs/p-DBDD heterojunction will broaden future research application prospects in the field of high-temperature consumption in future optoelectronic devices. Full article
(This article belongs to the Special Issue Feature Papers in 'Physical Chemistry and Chemical Physics' 2024)
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11 pages, 4787 KiB  
Article
From Type II to Z-Scheme: A DFT Study of Enhanced Water Splitting in the SGa2Se/TeMoS Heterojunction
by Fan Yang, Marie-Christine Record and Pascal Boulet
Crystals 2025, 15(5), 442; https://doi.org/10.3390/cryst15050442 - 7 May 2025
Viewed by 508
Abstract
Harnessing solar energy for photocatalytic water splitting and hydrogen fuel production necessitates the development of advanced photocatalysts with broad solar spectrum absorption and efficient electron-hole separation. In this study, we systematically explore the potential of the SGa2Se/TeMoS heterojunction as a water-splitting [...] Read more.
Harnessing solar energy for photocatalytic water splitting and hydrogen fuel production necessitates the development of advanced photocatalysts with broad solar spectrum absorption and efficient electron-hole separation. In this study, we systematically explore the potential of the SGa2Se/TeMoS heterojunction as a water-splitting photocatalyst using first-principles calculations. Our results indicate that while the heterojunction exhibits type-II band alignment, its band edge positions are inadequate for initiating water redox reactions. To overcome this limitation, we successfully engineered a Z-scheme SGa2Se/Zr/TeMoS heterojunction by incorporating a Zr layer to modulate the charge transfer mechanism between the SGa2Se and TeMoS layers. The potential positions of the HER and OER in this Z-scheme heterojunction overcome the limitation of the bandgap on water decomposition, allowing the optimized heterojunction to exhibit suitable band edge positions for water splitting across a wide pH range (0 ≤ pH ≤ 11.3), from acidic to weakly basic conditions. Additionally, the heterojunction exhibits exceptional light absorption capabilities across the entire spectrum, particularly in the infrared and visible regions, which greatly enhances the utilization of solar energy and highlights its potential as an efficient broad-spectrum photocatalyst for water splitting. Full article
(This article belongs to the Special Issue Advanced Materials for Applications in Water Splitting)
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14 pages, 3729 KiB  
Article
First-Principles Study on Direct Z-Scheme SnC/SnS2 Heterostructures for Photocatalytic Water Splitting
by Sisi Zhou and Yuliang Mao
Chemistry 2025, 7(3), 76; https://doi.org/10.3390/chemistry7030076 - 4 May 2025
Viewed by 662
Abstract
Direct Z-scheme heterojunctions are known for their unique carrier mobility mechanism, which significantly improves photocatalytic water splitting efficiency. In this study, we use first-principles simulations to determine the stability, electrical, and photocatalytic properties of a SnC/SnS2 heterojunction. Analyses of the projected energy [...] Read more.
Direct Z-scheme heterojunctions are known for their unique carrier mobility mechanism, which significantly improves photocatalytic water splitting efficiency. In this study, we use first-principles simulations to determine the stability, electrical, and photocatalytic properties of a SnC/SnS2 heterojunction. Analyses of the projected energy band and state density demonstrate that the SnC/SnS2 heterojunction exhibits an indirect band gap of 0.80 eV and a type-II band alignment. Analysis of its work function shows that the SnC/SnS2 heterojunction has a built-in electric field pointing from the SnC monolayer to the SnS2 monolayer. The band edge position and the differential charge density indicate that the SnC/SnS2 heterostructure exhibits a Z-scheme photocatalytic mechanism. Furthermore, the SnC/SnS2 heterojunction exhibits excellent visible-light absorption and high solar-to-hydrogen efficiency of 32.8%. It is found that the band gap and light absorption of the heterojunction can be effectively tuned by biaxial strain. These results demonstrate that the fabricated SnC/SnS2 heterojunction has significant photocatalysis potential. Full article
(This article belongs to the Section Theoretical and Computational Chemistry)
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15 pages, 5235 KiB  
Article
Sb2S3/Sb2O3 Heterojunction for Improving Photoelectrochemical Properties of Sb2S3 Thin Films
by Honglei Tan, Jia Yang, Zhaofeng Cui, Renjie Tan, Teng Li, Baoqiang Xu, Shaoyuan Li and Bin Yang
Metals 2025, 15(5), 478; https://doi.org/10.3390/met15050478 - 24 Apr 2025
Viewed by 485
Abstract
We prepared antimony metal films via electrodeposition, followed by the synthesis of Sb2S3 films through a chemical vapor phase reaction. Finally, an Sb2O3 film was deposited onto the Sb2S3 film using a chemical bath [...] Read more.
We prepared antimony metal films via electrodeposition, followed by the synthesis of Sb2S3 films through a chemical vapor phase reaction. Finally, an Sb2O3 film was deposited onto the Sb2S3 film using a chemical bath method, successfully constructing a heterojunction photocathode of Sb2S3/Sb2O3; the synthesized Sb2S3/Sb2O3 heterojunction is classified as a Type I heterostructure. The resulting Sb2S3/Sb2O3 heterojunction exhibited a photocurrent density of −0.056 mA cm−2 at −0.15 V (vs. RHE), which is 1.40 times higher than that of Sb2S3 alone under simulated solar illumination. Additionally, the Sb2S3/Sb2O3 heterojunction demonstrated a lower carrier recombination rate and a faster charge transfer rate compared to Sb2S3, as evidenced by photoluminescence and electrochemical impedance spectroscopy tests. For these reasons, the Sb2S3/Sb2O3 heterojunction obtained a hydrogen precipitation rate of 0.163mL cm−2 h−1, which is twice the hydrogen precipitation rate of Sb2S3, under the condition of 60 min of light exposure. The significant enhancement in photoelectrochemical performance is attributed to the formation of the Sb2S3/Sb2O3 heterojunction, which improves both carrier separation and charge transfer efficiency. This heterojunction strategy holds promising potential for visible light-driven photoelectrochemical water splitting. Full article
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19 pages, 3821 KiB  
Article
Sulfur-Doped ZnO as Cathode Interlayer for Efficient Inverted Organic Solar Cells
by Ermioni Polydorou, Georgios Manginas, Georgios Chatzigiannakis, Zoi Georgiopoulou, Apostolis Verykios, Elias Sakellis, Maria Eleni Rizou, Vassilis Psycharis, Leonidas Palilis, Dimitris Davazoglou, Anastasia Soultati and Maria Vasilopoulou
Materials 2025, 18(8), 1767; https://doi.org/10.3390/ma18081767 - 12 Apr 2025
Viewed by 686
Abstract
Bulk heterojunction (BHJ) organic solar cells (OSCs) represent a promising technology due to their cost-effectiveness, lightweight design and potential for flexible manufacturing. However, achieving a high power conversion efficiency (PCE) and long-term stability necessitates optimizing the interfacial layers. Zinc oxide (ZnO), commonly used [...] Read more.
Bulk heterojunction (BHJ) organic solar cells (OSCs) represent a promising technology due to their cost-effectiveness, lightweight design and potential for flexible manufacturing. However, achieving a high power conversion efficiency (PCE) and long-term stability necessitates optimizing the interfacial layers. Zinc oxide (ZnO), commonly used as an electron extraction layer (EEL) in inverted OSCs, suffers from surface defects that hinder device performance. Furthermore, the active control of its optoelectronic properties is highly desirable as the interfacial electron transport and extraction, exciton dissociation and non-radiative recombination are crucial for optimum solar cell operation. In this regard, this study investigates the sulfur doping of ZnO as a facile method to effectively increase ZnO conductivity, improve the interfacial electron transfer and, overall, enhance solar cell performance. ZnO films were sulfur-treated under various annealing temperatures, with the optimal condition found at 250 °C. Devices incorporating sulfur-doped ZnO (S-ZnO) exhibited a significant PCE improvement from 2.11% for the device with the pristine ZnO to 3.14% for the OSC based on the S-ZnO annealed at 250 °C, attributed to an enhanced short-circuit current density (Jsc) and fill factor (FF). Optical and structural analyses revealed that the sulfur treatment led to a small enhancement of the ZnO film crystallite size and an increased n-type transport capability. Additionally, the sulfurization of ZnO enhanced its electron extraction efficiency, exciton dissociation at the ZnO/photoactive layer interface and exciton/charge generation rate without altering the film morphology. These findings highlight the potential of sulfur doping as an easily implemented, straightforward approach to improving the performance of inverted OSCs. Full article
(This article belongs to the Special Issue Recent Advances in Semiconductors for Solar Cell Devices)
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