Pub Date : 2026-01-23DOI: 10.1016/j.inoche.2026.116215
Mihiriguli Abulimiti , Xiao Kang , Anwar Mamat , Xiangyan Li , Abulikemu Abulizi , Ailijiang Nuerla
Developing efficient, eco-friendly photocatalytic degradation processes using non-toxic and recyclable photocatalysts is a critical demand for wastewater treatment. To address tetracycline (TC) pollution, this study fabricated an S-type g-C3N4/ Bi2WO6 OVs/CdS (CN/BWO OVs/CdS; OVs: Oxygen Vacancies) heterojunction via an in-situ solvothermal approach. The composition, crystal structure, and micromorphology of the as-fabricated samples were systematically characterized. Under simulated solar irradiation, the CN/BWO OVs/CdS composite exhibited superior TC degradation performance compared to pristine g-C3N4, Bi2WO6 OVs, CdS, and their binary composites: by optimizing the component ratio, a 98.6% TC degradation efficiency was achieved within 120 min. Additionally, the CN/BWO OVs/CdS catalyst demonstrated excellent cycling stability, confirming its potential for practical application. Electron paramagnetic resonance (EPR) measurements and free radical quenching assays demonstrated that superoxide radicals (•O2−) and holes (h+) serve as the primary reactive species driving TC degradation. The improved photocatalytic performance was largely ascribed to the S-scheme charge transfer mechanism, which efficiently facilitates the separation of photogenerated electron-hole pairs. This study offers an innovative approach to engineering high-efficiency ternary photocatalysts for wastewater treatment.
{"title":"Performance study of CN/BWO OVs/CdS ternary system in photocatalytic degradation of tetracycline","authors":"Mihiriguli Abulimiti , Xiao Kang , Anwar Mamat , Xiangyan Li , Abulikemu Abulizi , Ailijiang Nuerla","doi":"10.1016/j.inoche.2026.116215","DOIUrl":"10.1016/j.inoche.2026.116215","url":null,"abstract":"<div><div>Developing efficient, eco-friendly photocatalytic degradation processes using non-toxic and recyclable photocatalysts is a critical demand for wastewater treatment. To address tetracycline (TC) pollution, this study fabricated an S-type g-C<sub>3</sub>N<sub>4</sub>/ Bi<sub>2</sub>WO<sub>6</sub> OVs/CdS (CN/BWO OVs/CdS; OVs: Oxygen Vacancies) heterojunction via an in-situ solvothermal approach. The composition, crystal structure, and micromorphology of the as-fabricated samples were systematically characterized. Under simulated solar irradiation, the CN/BWO OVs/CdS composite exhibited superior TC degradation performance compared to pristine g-C<sub>3</sub>N<sub>4</sub>, Bi<sub>2</sub>WO<sub>6</sub> OVs, CdS, and their binary composites: by optimizing the component ratio, a 98.6% TC degradation efficiency was achieved within 120 min. Additionally, the CN/BWO OVs/CdS catalyst demonstrated excellent cycling stability, confirming its potential for practical application. Electron paramagnetic resonance (EPR) measurements and free radical quenching assays demonstrated that superoxide radicals (•O<sub>2</sub><sup>−</sup>) and holes (h<sup>+</sup>) serve as the primary reactive species driving TC degradation. The improved photocatalytic performance was largely ascribed to the S-scheme charge transfer mechanism, which efficiently facilitates the separation of photogenerated electron-hole pairs. This study offers an innovative approach to engineering high-efficiency ternary photocatalysts for wastewater treatment.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116215"},"PeriodicalIF":5.4,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The present study reported the synthesis approach, antibacterial, and photocatalytic activity of TiO2/K2SO4@MoS2 nanocomposites. In contrast to previously reported TiO2-MoS2 based photocatalysts that primarily focus on single-function dye degradation, the present work emphasizes a multifunctional nanocomposite design. This study investigates the use of UV light to enhance the degradation of organic contaminants in wastewater by photocatalysis. Titanium dioxide-doped potassium sulphate and molybdenum disulfide nanocomposites (TiO2/K2SO4@MoS2 NCs) synthesized by the co-precipitation method were applied to the photodegradation of Brilliant Green (BG) and Rose Bengal (RB) dyes under UV light. The synthesized TiO2/K2SO4@MoS2 novel nanocomposites underwent comprehensive characterization using SEM-EDS, XRD, FTIR, and UV–visible spectroscopy techniques, confirming the successful insertion of TiO2/K2SO4 into the MoS2 nanosheets. Compared to previously reported TiO2/K2SO4 based nanocomposite, the incorporation of MoS2 provides improved interfacial charge transfer and suppresses electron-hole recombination. The results showed that TiO2/K2SO4@MoS2 hybrid nanocomposites exhibited enhanced activity in oxidizing BG and RB dyes in water under UV light irradiation compared to pure TiO2/K2SO4 within 60 min. The results indicate that the effectiveness of photodegradation of the TiO2/K2SO4 nanoparticles improved from 77.87% to 85.22% in the presence of MoS2 for BG and 78.14% to 86.8% for RB. The produced TiO2/K2SO4@MoS2 NCs photocatalysts were shown to be stable during BG and RB photodegradation in reusable studies, suggesting potential uses for environmental remediation. The antibacterial activity of the TiO2/K2SO4@MoS2 nanocomposite was evaluated through the inactivation of Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria.
{"title":"Multifunctional TiO2/K2SO4@MoS2 nanocomposite with superior photocatalytic degradation of Brilliant Green and Rose Bengal dyes, along with potent antibacterial activity","authors":"Krishna Raj Chinnadurai , Siranjeevi Ravichandran , Susmitha Ravichandran , Sameera Shabnum Saleem","doi":"10.1016/j.inoche.2026.116220","DOIUrl":"10.1016/j.inoche.2026.116220","url":null,"abstract":"<div><div>The present study reported the synthesis approach, antibacterial, and photocatalytic activity of TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> nanocomposites. In contrast to previously reported TiO<sub>2</sub>-MoS<sub>2</sub> based photocatalysts that primarily focus on single-function dye degradation, the present work emphasizes a multifunctional nanocomposite design. This study investigates the use of UV light to enhance the degradation of organic contaminants in wastewater by photocatalysis. Titanium dioxide-doped potassium sulphate and molybdenum disulfide nanocomposites (TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> NCs) synthesized by the co-precipitation method were applied to the photodegradation of Brilliant Green (BG) and Rose Bengal (RB) dyes under UV light. The synthesized TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> novel nanocomposites underwent comprehensive characterization using SEM-EDS, XRD, FTIR, and UV–visible spectroscopy techniques, confirming the successful insertion of TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> into the MoS<sub>2</sub> nanosheets. Compared to previously reported TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> based nanocomposite, the incorporation of MoS<sub>2</sub> provides improved interfacial charge transfer and suppresses electron-hole recombination. The results showed that TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> hybrid nanocomposites exhibited enhanced activity in oxidizing BG and RB dyes in water under UV light irradiation compared to pure TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> within 60 min. The results indicate that the effectiveness of photodegradation of the TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> nanoparticles improved from 77.87% to 85.22% in the presence of MoS<sub>2</sub> for BG and 78.14% to 86.8% for RB. The produced TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> NCs photocatalysts were shown to be stable during BG and RB photodegradation in reusable studies, suggesting potential uses for environmental remediation. The antibacterial activity of the TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> nanocomposite was evaluated through the inactivation of Gram-positive (<em>Staphylococcus aureus</em>) and Gram-negative (<em>Escherichia coli</em>) bacteria.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116220"},"PeriodicalIF":5.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-22DOI: 10.1016/j.inoche.2026.116206
Chen-Lu Zhang , Yu-Yao Li , Xiao-Hui Li , Zhi-Xuan An , Zhong Zhang , Xiu-Li Wang
In this work, two new metal-organic complexes (MOCs), namely [Co(L)(BTEC)0.5]·H2O (1) and [Co(L)(2,2-BDC)]·H2O (2) (L = (E)-4,4′-(diazene-1,2-diyl)bis(N-(pyridin-3-yl)benzamide); H4BTEC = benzene-1,2,4,5-tetracarboxylic acid; 2,2-BDC = [1,1′-biphenyl]-2,2′-dicarboxylic acid) were synthesized under hydrothermal conditions by a dual-ligand strategy, which were characterized by IR, PXRD, TG and single crystal X-ray diffraction. The diamide derivative L was used as the main ligand, while the tetradentate H4BTEC and the bidentate 2,2-BDC were employed as the secondary ligands respectively, to regulate the coordination geometry of the central Co atoms in the title MOCs. In the sulfide oxidation reaction, complexes 1 and 2 can act as heterogeneous catalysts with highly catalytic activity and excellent sulfoxide selectivity. Notably, the distinct coordination geometry of the Co centers in complexes 1 and 2 resulted in different accessibility to catalytic active sites, leading to distinct catalytic effects. For methyl phenyl thioether oxidation, complex 1 with a four-coordinated distorted tetrahedral Co(II) configuration (τ₄ = 0.765) achieved 99% conversion (sel. 99%), while complex 2 with a four-coordinated more slightly distorted tetrahedral Co(II) configuration (τ₄ = 0.809) showed 94% conversion (sel. 98%). The influence of different metal coordination geometry in the complexes on their catalytic effect was investigated, which provide meaningful guidance for the design and synthesis of efficient heterogeneous MOCs catalysts.
{"title":"Metal coordination geometry-dependent catalytic performance: Two cobalt complexes for sulfide oxidation reaction","authors":"Chen-Lu Zhang , Yu-Yao Li , Xiao-Hui Li , Zhi-Xuan An , Zhong Zhang , Xiu-Li Wang","doi":"10.1016/j.inoche.2026.116206","DOIUrl":"10.1016/j.inoche.2026.116206","url":null,"abstract":"<div><div>In this work, two new metal-organic complexes (MOCs), namely [Co(L)(BTEC)<sub>0.5</sub>]·H<sub>2</sub>O (<strong>1</strong>) and [Co(L)(2,2-BDC)]·H<sub>2</sub>O (<strong>2</strong>) (L = (<em>E</em>)-4,4′-(diazene-1,2-diyl)bis(<em>N</em>-(pyridin-3-yl)benzamide); H<sub>4</sub>BTEC = benzene-1,2,4,5-tetracarboxylic acid; 2,2-BDC = [1,1′-biphenyl]-2,2′-dicarboxylic acid) were synthesized under hydrothermal conditions by a dual-ligand strategy, which were characterized by IR, PXRD, TG and single crystal X-ray diffraction. The diamide derivative L was used as the main ligand, while the tetradentate H<sub>4</sub>BTEC and the bidentate 2,2-BDC were employed as the secondary ligands respectively, to regulate the coordination geometry of the central Co atoms in the title MOCs. In the sulfide oxidation reaction, complexes <strong>1</strong> and <strong>2</strong> can act as heterogeneous catalysts with highly catalytic activity and excellent sulfoxide selectivity. Notably, the distinct coordination geometry of the Co centers in complexes <strong>1</strong> and <strong>2</strong> resulted in different accessibility to catalytic active sites, leading to distinct catalytic effects. For methyl phenyl thioether oxidation, complex <strong>1</strong> with a four-coordinated distorted tetrahedral Co(II) configuration (τ₄ = 0.765) achieved 99% conversion (sel. 99%), while complex <strong>2</strong> with a four-coordinated more slightly distorted tetrahedral Co(II) configuration (τ₄ = 0.809) showed 94% conversion (sel. 98%). The influence of different metal coordination geometry in the complexes on their catalytic effect was investigated, which provide meaningful guidance for the design and synthesis of efficient heterogeneous MOCs catalysts.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116206"},"PeriodicalIF":5.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146096019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Creating affordable and efficient electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) across different pH levels remains a significant challenge in renewable energy research. In this study, we report a novel hierarchical nanocomposite comprising CeO2 and NiO nanospheres integrated with g-C3N4 nanosheets on nickel foam (NF), demonstrating bifunctional electrocatalytic activity toward HER and OER across alkaline, acidic, and neutral media. The g-C3N4/CeO2/NiO exhibits ultra-low overpotentials (0.064 V for HER and 0.281 V for OER at 50 mA/cm2) and excellent durability. The synergistic electron transfer between Ce3+/Ce4+and Ni2+ in the porous g-C3N4 matrix reduces intermediate binding energies and boosts electrocatalytic kinetics. A two-electrode electrolyzer assembled with this hybrid catalyst achieves efficient overall water splitting at low cell voltages of 1.72 V (alkaline), 1.92 V (acidic), and 1.98 V (neutral) at 200 mA/cm2. The superior performance is attributed to strong interfacial electron interactions among Ni2+, Ce3+/Ce4+, and the g-C3N4 matrix, which optimize intermediate binding energies and accelerate reaction kinetics. These results highlight the g-C3N4/CeO2/NiO composite as a promising and versatile electrocatalyst for pH-universal water splitting.
{"title":"Ultralow-overpotential non-noble metal oxide–doped g-C₃N₄ heterostructure for efficient bifunctional water splitting electrocatalyst across all pH conditions","authors":"Kedareswari Thippana , Rakesh Kulkarni , Lakshmi Prasanna Lingamdinne , Adinarayana Reddy Somala , Shekhar Banoth , Janardhan Reddy Koduru","doi":"10.1016/j.inoche.2026.116217","DOIUrl":"10.1016/j.inoche.2026.116217","url":null,"abstract":"<div><div>Creating affordable and efficient electrocatalysts for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) across different pH levels remains a significant challenge in renewable energy research. In this study, we report a novel hierarchical nanocomposite comprising CeO<sub>2</sub> and NiO nanospheres integrated with g-C<sub>3</sub>N<sub>4</sub> nanosheets on nickel foam (NF), demonstrating bifunctional electrocatalytic activity toward HER and OER across alkaline, acidic, and neutral media. The g-C<sub>3</sub>N<sub>4</sub>/CeO<sub>2</sub>/NiO exhibits ultra-low overpotentials (0.064 V for HER and 0.281 V for OER at 50 mA/cm<sup>2</sup>) and excellent durability. The synergistic electron transfer between Ce<sup>3+</sup>/Ce<sup>4+</sup>and Ni<sup>2+</sup> in the porous g-C<sub>3</sub>N<sub>4</sub> matrix reduces intermediate binding energies and boosts electrocatalytic kinetics. A two-electrode electrolyzer assembled with this hybrid catalyst achieves efficient overall water splitting at low cell voltages of 1.72 V (alkaline), 1.92 V (acidic), and 1.98 V (neutral) at 200 mA/cm<sup>2</sup>. The superior performance is attributed to strong interfacial electron interactions among Ni<sup>2+</sup>, Ce<sup>3+</sup>/Ce<sup>4+</sup>, and the g-C<sub>3</sub>N<sub>4</sub> matrix, which optimize intermediate binding energies and accelerate reaction kinetics. These results highlight the g-C<sub>3</sub>N<sub>4</sub>/CeO<sub>2</sub>/NiO composite as a promising and versatile electrocatalyst for pH-universal water splitting.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116217"},"PeriodicalIF":5.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.inoche.2026.116207
Nurcan Kızılbulut , Nuray Yılmaz Baran , Talat Baran
Energy is essential for modern life, but reliance on fossil fuels is unsustainable due to environmental and health risks. Renewable hydrogen is a promising alternative, though challenges remain in its mild production and safe storage. Formic acid (FA), a liquid, non-explosive, biomass-derived hydrogen carrier, offers a safe and efficient route, making its selective catalytic dehydrogenation a key method for hydrogen generation. In this study, we fabricated amine-modified layered double hydroxide supported Pd nanoparticles (Pd@NiAl LDHs–NH2) as a catalyst for H2 production via FA dehydrogenation. The fabricated Pd@NiAl LDHs–NH2 nanocatalyst was successfully characterized by FT-IR, TEM, EDS, XRD, and EDS mapping analyses, showing Pd particle sizes of around 15 nm. Performed studies revealed that 50 mg of the Pd@NiAl LDHs–NH2 nanocatalyst exhibited the highest initial turnover frequency (TOF) of 267 h−1 within the first 10 min at 50 °C. The activation energy for Pd@NiAl LDHs–NH2 was calculated as 46.7 kJ/mol. The Pd@NiAl LDH–NH2 was also successfully recovered and reused three times in FA dehydrogenation.
{"title":"Palladium nanoparticles supported on amine-functionalized NiAl layered double hydroxides and investigation of their catalytic role against formic acid dehydrogenation","authors":"Nurcan Kızılbulut , Nuray Yılmaz Baran , Talat Baran","doi":"10.1016/j.inoche.2026.116207","DOIUrl":"10.1016/j.inoche.2026.116207","url":null,"abstract":"<div><div>Energy is essential for modern life, but reliance on fossil fuels is unsustainable due to environmental and health risks. Renewable hydrogen is a promising alternative, though challenges remain in its mild production and safe storage. Formic acid (FA), a liquid, non-explosive, biomass-derived hydrogen carrier, offers a safe and efficient route, making its selective catalytic dehydrogenation a key method for hydrogen generation. In this study, we fabricated amine-modified layered double hydroxide supported Pd nanoparticles (Pd@NiAl LDHs–NH<sub>2</sub>) as a catalyst for H<sub>2</sub> production via FA dehydrogenation. The fabricated Pd@NiAl LDHs–NH<sub>2</sub> nanocatalyst was successfully characterized by FT-IR, TEM, EDS, XRD, and EDS mapping analyses, showing Pd particle sizes of around 15 nm. Performed studies revealed that 50 mg of the Pd@NiAl LDHs–NH<sub>2</sub> nanocatalyst exhibited the highest initial turnover frequency (TOF) of 267 h<sup>−1</sup> within the first 10 min at 50 °C. The activation energy for Pd@NiAl LDHs–NH<sub>2</sub> was calculated as 46.7 kJ/mol. The Pd@NiAl LDH–NH<sub>2</sub> was also successfully recovered and reused three times in FA dehydrogenation.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116207"},"PeriodicalIF":5.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.inoche.2026.116210
Xiao Wang, Yu Zhang, Donghui Wang, Yongqi Duan, Yuekai Zhao, Tao Xue, Kunping Guo, Jin Huang, Fanghui Zhang
In inorganic perovskite solar cells (IPSCs), interfacial stability and defect passivation remain key challenges for achieving higher photovoltaic performance. Here, we propose a buried interfacial molecular engineering strategy using pyridine-3,5-dicarboxylic acid (PDC) as a bifunctional passivator to simultaneously improve crystallinity and suppress defects. The carboxylic groups of PDC chemically anchor onto the TiO2 surface through esterification with surface hydroxyls, forming a robust interfacial layer, while the nitrogen atom in the pyridine ring coordinates with undercoordinated Pb2+ ions in the perovskite absorber. This dual interaction effectively passivates defects on both TiO2 and perovskite surfaces, facilitating efficient electron extraction, improving film crystallinity, and suppressing nonradiative recombination. As a result, the PDC-modified devices deliver a significantly enhanced power conversion efficiency of 14.05%, compared to 9.81% for the control devices, representing an improvement of over 43% under standard AM 1.5G illumination. In addition, the PDC-treated devices exhibit markedly improved environmental and mechanical stability, retaining approximately 90% of their initial efficiency after 500 h of continuous operation without encapsulation. This work demonstrates an effective interfacial molecular engineering strategy for simultaneously boosting efficiency and long-term stability in inorganic perovskite solar cells.
{"title":"Bifunctional interface engineering for stable perovskite photovoltaics: Synergistic crystallization and defect passivation with a pyridine-3,5-dicarboxylic acid interlayer","authors":"Xiao Wang, Yu Zhang, Donghui Wang, Yongqi Duan, Yuekai Zhao, Tao Xue, Kunping Guo, Jin Huang, Fanghui Zhang","doi":"10.1016/j.inoche.2026.116210","DOIUrl":"10.1016/j.inoche.2026.116210","url":null,"abstract":"<div><div>In inorganic perovskite solar cells (IPSCs), interfacial stability and defect passivation remain key challenges for achieving higher photovoltaic performance. Here, we propose a buried interfacial molecular engineering strategy using pyridine-3,5-dicarboxylic acid (PDC) as a bifunctional passivator to simultaneously improve crystallinity and suppress defects. The carboxylic groups of PDC chemically anchor onto the TiO<sub>2</sub> surface through esterification with surface hydroxyls, forming a robust interfacial layer, while the nitrogen atom in the pyridine ring coordinates with undercoordinated Pb<sup>2+</sup> ions in the perovskite absorber. This dual interaction effectively passivates defects on both TiO<sub>2</sub> and perovskite surfaces, facilitating efficient electron extraction, improving film crystallinity, and suppressing nonradiative recombination. As a result, the PDC-modified devices deliver a significantly enhanced power conversion efficiency of 14.05%, compared to 9.81% for the control devices, representing an improvement of over 43% under standard AM 1.5G illumination. In addition, the PDC-treated devices exhibit markedly improved environmental and mechanical stability, retaining approximately 90% of their initial efficiency after 500 h of continuous operation without encapsulation. This work demonstrates an effective interfacial molecular engineering strategy for simultaneously boosting efficiency and long-term stability in inorganic perovskite solar cells.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116210"},"PeriodicalIF":5.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Development of a more affordable, stable, and efficient substitute for Pt as counter electrode for dye-sensitized solar cells (DSSCs) is increasingly gaining attention. An in-situ one-step hydrothermal method was used to deposit cobalt sulfide (CoSx), which is recognized for its catalytically active sites, onto FTO substrates. Then, La3+ and Ni2+ metal ions were integrated into the CoSₓ structure individually or simultaneously to boost its catalytic activity. This led to the synthesis and extensive investigation of CoLaSx, CoNiSx, and CoLayNi1-ySx composites. According to the findings of the photovoltaic study, CoSx exhibited a power conversion efficiency (PCE) of 5.11%. In contrast, CoNiSx and CoLaSx composites achieved PCEs of 9.21% and 8.20%, respectively. By varying the molar ratios of Co2+, La3+, and Ni2+, the optimum CoLa0.75Ni0.25Sx composite achieved an impressive PCE of 12.32%, high short circuit current density (JSC = 32.69 mA/cm2), open circuit voltage (VOC = 0.782 V), and fill factor (FF) of 0.48. This signified 71.1% improvement over the performance of the conventional Pt-based DSSC, which had a PCE of 7.20%. BET and FESEM analyses indicated that the CoLa0.75Ni0.25Sx nanocomposite featured appropriate porosity and active surface area, with uniform adhesion to the FTO, resulting in superior charge transport capacities. Additionally, based on electrochemical impedance spectra (EIS), cyclic voltammetry, and Tafel polarization, champion CoLa0.75Ni0.25Sx cathode nanocomposite provided the strongest cathodic current density, the lowest charge-transfer resistance, and the best electrochemical reversibility with optimized energy level alignment for reduction of I3−/I− redox couple, validating this sample could replace commercial Pt cathode, thanks to its exceptional performance.
{"title":"An impressive efficiency exceeding 12% for dye-sensitized solar cells: Diverse metal sulfide nanocomposites as exceptional cathode materials","authors":"Seyed-Milad Bonyad-Shekalgourabi, Mostafa Roudgar-Amoli, Zahra Shariatinia","doi":"10.1016/j.inoche.2026.116209","DOIUrl":"10.1016/j.inoche.2026.116209","url":null,"abstract":"<div><div>Development of a more affordable, stable, and efficient substitute for Pt as counter electrode for dye-sensitized solar cells (DSSCs) is increasingly gaining attention. An in-situ one-step hydrothermal method was used to deposit cobalt sulfide (CoS<sub>x</sub>), which is recognized for its catalytically active sites, onto FTO substrates. Then, La<sup>3+</sup> and Ni<sup>2+</sup> metal ions were integrated into the CoSₓ structure individually or simultaneously to boost its catalytic activity. This led to the synthesis and extensive investigation of CoLaS<sub>x</sub>, CoNiS<sub>x</sub>, and CoLa<sub>y</sub>Ni<sub>1-y</sub>S<sub>x</sub> composites. According to the findings of the photovoltaic study, CoS<sub>x</sub> exhibited a power conversion efficiency (PCE) of 5.11%. In contrast, CoNiS<sub>x</sub> and CoLaS<sub>x</sub> composites achieved PCEs of 9.21% and 8.20%, respectively. By varying the molar ratios of Co<sup>2+</sup>, La<sup>3+</sup>, and Ni<sup>2+</sup>, the optimum CoLa<sub>0.75</sub>Ni<sub>0.25</sub>S<sub>x</sub> composite achieved an impressive PCE of 12.32%, high short circuit current density (J<sub>SC</sub> = 32.69 mA/cm<sup>2</sup>), open circuit voltage (V<sub>OC</sub> = 0.782 V), and fill factor (FF) of 0.48. This signified 71.1% improvement over the performance of the conventional Pt-based DSSC, which had a PCE of 7.20%. BET and FESEM analyses indicated that the CoLa<sub>0.75</sub>Ni<sub>0.25</sub>S<sub>x</sub> nanocomposite featured appropriate porosity and active surface area, with uniform adhesion to the FTO, resulting in superior charge transport capacities. Additionally, based on electrochemical impedance spectra (EIS), cyclic voltammetry, and Tafel polarization, champion CoLa<sub>0.75</sub>Ni<sub>0.25</sub>S<sub>x</sub> cathode nanocomposite provided the strongest cathodic current density, the lowest charge-transfer resistance, and the best electrochemical reversibility with optimized energy level alignment for reduction of I<sub>3</sub><sup>−</sup>/I<sup>−</sup> redox couple, validating this sample could replace commercial Pt cathode, thanks to its exceptional performance.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116209"},"PeriodicalIF":5.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.inoche.2026.116195
Ting Li , Xiaofei Zhang , Hongli Yang , Panpan Chang , Jiaqiang Yang , Jinshi Dong
TiO2 was widely applied in fields such as catalysis, coatings, and cosmetics due to its excellent properties. Anatase and rutile were the two common phases of TiO2, and although their structures and phase transition were extensively studied, a consensus had not been reached. In this work, we investigated the structural evolution during the thermal-driven transformation of anatase to rutile from a microscopic perspective. It was demonstrated that the thermally induced anatase-to-rutile transition was not influenced by the environmental atmosphere. First, the Rietveld method was employed to determine the unit cell structures of the prepared anatase and the transformed rutile. Their stability was further confirmed through density functional theory (DFT) calculations and Ab initio molecular dynamics (AIMD) simulations. Based on the orientation relationship of (112)A || (010)R between the two phases, an atomic move pathway for the phase transformation was proposed. Finally, the phase transition of spherical particles was simulated by analyzing the variation of O-Ti-O bond angles in the TiO2 structure. The sintering processes at different-size particles were also simulated with the calculations of centroid shrinkage ratio. This work clarified the structure and phase transition mechanism of TiO2 at the atomic scale, which contributed to understanding and regulating the synthesis of TiO2-based materials.
{"title":"Microscopic study on the structure and phase transition behavior from anatase to rutile TiO2","authors":"Ting Li , Xiaofei Zhang , Hongli Yang , Panpan Chang , Jiaqiang Yang , Jinshi Dong","doi":"10.1016/j.inoche.2026.116195","DOIUrl":"10.1016/j.inoche.2026.116195","url":null,"abstract":"<div><div>TiO<sub>2</sub> was widely applied in fields such as catalysis, coatings, and cosmetics due to its excellent properties. Anatase and rutile were the two common phases of TiO<sub>2</sub>, and although their structures and phase transition were extensively studied, a consensus had not been reached. In this work, we investigated the structural evolution during the thermal-driven transformation of anatase to rutile from a microscopic perspective. It was demonstrated that the thermally induced anatase-to-rutile transition was not influenced by the environmental atmosphere. First, the Rietveld method was employed to determine the unit cell structures of the prepared anatase and the transformed rutile. Their stability was further confirmed through density functional theory (DFT) calculations and Ab initio molecular dynamics (AIMD) simulations. Based on the orientation relationship of (112)<sub>A</sub> || (010)<sub>R</sub> between the two phases, an atomic move pathway for the phase transformation was proposed. Finally, the phase transition of spherical particles was simulated by analyzing the variation of O-Ti-O bond angles in the TiO<sub>2</sub> structure. The sintering processes at different-size particles were also simulated with the calculations of centroid shrinkage ratio. This work clarified the structure and phase transition mechanism of TiO<sub>2</sub> at the atomic scale, which contributed to understanding and regulating the synthesis of TiO<sub>2</sub>-based materials.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116195"},"PeriodicalIF":5.4,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.inoche.2026.116213
Yingjun Chen , Zhen Cheng , Xueli Jin , Linghai Xie , Min Han , Naien Shi
Fabrication of interconnected composites from conductive polymers and highly porous materials is effective to increase the energy and power densities of supercapacitors. However, the effective energy storage of metal–organic frameworks are limited by their intrinsic microporous structure which blocks the interpenetration of electrolyte ions. This study proposes “implant nanotubule charge channel” strategy via supramolecular hydrogel engineering on ZIF-67, achieves a type of highly porous material with one-dimensional nanotubule pores, and it leads to exceptional energy storage performance. Herein, small molecular weight hydrogel of N,N′,N″-tris(3-pyridyl)trimesic amide (TPTA) was employed to engineer the microstructure of ZIF-67 and obtain ZIF-67-TPTA, then TPTA was etched away to achieve the Implanted Tubule Pored ZIF-67 (ITP-ZIF-67) with one-dimensional pore channels. Finally, the conductive polymer polyaniline was electrodeposited and the pore of ITP-ZIF-67 was modified to get the composite of ITP-ZIF-67/PANI. The electrochemical test of ITP-ZIF-67/PANI electrode material shows that its flexible solid-state supercapacitor achieves a high specific capacitance of 2116 mF cm−2 with an energy density of 293.97 μWh cm−2 at a power density of 5 W cm−2, superior to most of the all-solid-state flexible supercapacitors. Moreover, after 5000 cycles, it maintains more than 70% of the initial capacitance value and it can power LED devices. The synthesis strategy in this work provides a new template for preparing MOF mesoporous composite materials with ion and electron conductive properties for further applications in flexible energy storage and electronic devices.
由导电聚合物和高多孔材料制成互连复合材料是提高超级电容器能量和功率密度的有效方法。然而，金属有机骨架的有效储能受到其固有的微孔结构的限制，这阻碍了电解质离子的相互渗透。本研究通过超分子水凝胶工程在ZIF-67上提出“植入纳米管电荷通道”策略，实现了一种具有一维纳米管孔的高多孔材料，并具有优异的储能性能。本文采用N，N ',N″-tris（3-吡啶基）三聚酰胺（TPTA）小分子量水凝胶对ZIF-67的微观结构进行工程修饰，得到ZIF-67-TPTA，然后将TPTA蚀刻掉，得到具有一维孔道的植入管状多孔ZIF-67 （ITP-ZIF-67）。最后，电沉积导电聚合物聚苯胺，并对ITP-ZIF-67的孔隙进行修饰，得到ITP-ZIF-67/聚苯胺的复合材料。对ITP-ZIF-67/PANI电极材料的电化学测试表明，其柔性固态超级电容器在5 W cm−2的功率密度下，比电容达到2116 mF cm−2，能量密度达到293.97 μWh cm−2，优于大多数全固态柔性超级电容器。此外，经过5000次循环后，它保持了超过70%的初始电容值，可以为LED器件供电。本文的合成策略为制备具有离子和电子导电性的MOF介孔复合材料提供了新的模板，为进一步在柔性储能和电子器件中的应用提供了新的思路。
{"title":"Supramolecular hydrogel implanting nanotubule channels inside microporous metal–organic frameworks for flexible solid-state supercapacitors with ultra-high areal capacity","authors":"Yingjun Chen , Zhen Cheng , Xueli Jin , Linghai Xie , Min Han , Naien Shi","doi":"10.1016/j.inoche.2026.116213","DOIUrl":"10.1016/j.inoche.2026.116213","url":null,"abstract":"<div><div>Fabrication of interconnected composites from conductive polymers and highly porous materials is effective to increase the energy and power densities of supercapacitors. However, the effective energy storage of metal–organic frameworks are limited by their intrinsic microporous structure which blocks the interpenetration of electrolyte ions. This study proposes “implant nanotubule charge channel” strategy via supramolecular hydrogel engineering on ZIF-67, achieves a type of highly porous material with one-dimensional nanotubule pores, and it leads to exceptional energy storage performance. Herein, small molecular weight hydrogel of N,N′,N″-tris(3-pyridyl)trimesic amide (TPTA) was employed to engineer the microstructure of ZIF-67 and obtain ZIF-67-TPTA, then TPTA was etched away to achieve the Implanted Tubule Pored ZIF-67 (ITP-ZIF-67) with one-dimensional pore channels. Finally, the conductive polymer polyaniline was electrodeposited and the pore of ITP-ZIF-67 was modified to get the composite of ITP-ZIF-67/PANI. The electrochemical test of ITP-ZIF-67/PANI electrode material shows that its flexible solid-state supercapacitor achieves a high specific capacitance of 2116 mF cm<sup>−2</sup> with an energy density of 293.97 μWh cm<sup>−2</sup> at a power density of 5 W cm<sup>−2</sup>, superior to most of the all-solid-state flexible supercapacitors. Moreover, after 5000 cycles, it maintains more than 70% of the initial capacitance value and it can power LED devices. The synthesis strategy in this work provides a new template for preparing MOF mesoporous composite materials with ion and electron conductive properties for further applications in flexible energy storage and electronic devices.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116213"},"PeriodicalIF":5.4,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-20DOI: 10.1016/j.inoche.2026.116212
Hualan Li , Jie Tan , Mingliang Guo , Hai Li , Yongcheng Qi , Lei Ding , Hao Zhang , Xiaohong Wang
Developing effective electrocatalysts for the oxygen evolution reaction (OER) remains a major hurdle for the commercialization of water electrolysis for hydrogen production. Herein, we report a synthetic approach using Prussian blue nanocubes as a core component to guide the two-step formation of CoFeS2 on nickel foam. A sulfide ion etching strategy with microwave assisted was implemented to effectively open the nanocubes and yield a 3D honeycomb-like morphology. The synthesized CoFeS2/NF exhibits low overpotential (η10 = 237 mV and η100 = 276 mV) and excellent stability in alkaline seawater, showing no performance degradation after 100 h of continuous operation at 500 mA cm−2. The experimental results demonstrate that the catalytic enhancement of CoFeS2/NF originates from its unique morphological characteristics and modulable electronic structure. Theoretical calculations further indicate that the modulation of the electronic structure significantly enhances the reaction kinetics by lowering the energy barrier. The principal significance of this work lies in demonstrating the sulfidation-microwave assisted strategy, which offers a viable blueprint for fabricating structurally tunable transition metal sulfides as efficient OER catalysts.
为析氧反应（OER）开发有效的电催化剂仍然是水电解制氢商业化的主要障碍。在此，我们报告了一种以普鲁士蓝纳米立方体为核心成分的合成方法，以指导泡沫镍上CoFeS2的两步形成。采用微波辅助的硫化物离子蚀刻策略，有效地打开纳米立方体并产生三维蜂窝状形貌。合成的CoFeS2/NF具有低过电位（η10 = 237 mV和η100 = 276 mV）和良好的碱性海水稳定性，在500 mA cm−2下连续运行100 h后性能没有下降。实验结果表明，CoFeS2/NF的催化增强源于其独特的形态特征和可调的电子结构。理论计算进一步表明，电子结构的调制通过降低能垒显著提高反应动力学。这项工作的主要意义在于展示了硫化-微波辅助策略，为制造结构可调的过渡金属硫化物作为高效的OER催化剂提供了可行的蓝图。
{"title":"Constructing 3D porous honeycomb based on sulfurization-microwave assisted Prussian blue analogues for boosted water oxidation","authors":"Hualan Li , Jie Tan , Mingliang Guo , Hai Li , Yongcheng Qi , Lei Ding , Hao Zhang , Xiaohong Wang","doi":"10.1016/j.inoche.2026.116212","DOIUrl":"10.1016/j.inoche.2026.116212","url":null,"abstract":"<div><div>Developing effective electrocatalysts for the oxygen evolution reaction (OER) remains a major hurdle for the commercialization of water electrolysis for hydrogen production. Herein, we report a synthetic approach using Prussian blue nanocubes as a core component to guide the two-step formation of CoFeS<sub>2</sub> on nickel foam. A sulfide ion etching strategy with microwave assisted was implemented to effectively open the nanocubes and yield a 3D honeycomb-like morphology. The synthesized CoFeS<sub>2</sub>/NF exhibits low overpotential (η<sub>10</sub> = 237 mV and η<sub>100</sub> = 276 mV) and excellent stability in alkaline seawater, showing no performance degradation after 100 h of continuous operation at 500 mA cm<sup>−2</sup>. The experimental results demonstrate that the catalytic enhancement of CoFeS<sub>2</sub>/NF originates from its unique morphological characteristics and modulable electronic structure. Theoretical calculations further indicate that the modulation of the electronic structure significantly enhances the reaction kinetics by lowering the energy barrier. The principal significance of this work lies in demonstrating the sulfidation-microwave assisted strategy, which offers a viable blueprint for fabricating structurally tunable transition metal sulfides as efficient OER catalysts.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116212"},"PeriodicalIF":5.4,"publicationDate":"2026-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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