Pub Date : 2025-01-23DOI: 10.1016/j.jssc.2025.125222
Wangyang Wang , Ting Xu , Hang Bian , Liying Yin , Ning Zhang
To enhance the secure processing of radioactive nuclear fuel, it is essential to develop capture agents that effectively adsorb both molecular and organic iodine species. Traditional iodine capture agents often face limitations in adsorption range, capacity, and reusability. In this study, we synthesized two thiophene-based covalent organic frameworks (COFs), TAPB-DTDA and TAPT-DTDA, via Schiff base reactions. These COFs possess high specific surface areas and electron-rich heteroatoms (N and S) to facilitate iodine capture. The COFs’ large surface areas, combined with electron-rich sites, significantly improve molecular iodine adsorption. Organic iodide capture is achieved through intermolecular interactions via methylation at nitrogen sites. TAPB-DTDA and TAPT-DTDA exhibited high adsorption capacities, with values of 5.95 g/g and 5.38 g/g for static iodine vapor, respectively. Additionally, their K₈₀% values were 1.05 g g-1 h-1 and 2.23 g g-1 h-1, respectively, which outperformed the adsorption rates of most iodine adsorbents reported in the literature. For methyl iodide vapor, the adsorption capacities of TAPB-DTDA and TAPT-DTDA reached 1.02 g/g and 2.12 g/g, respectively, with TAPT-DTDA setting a new capacity record among similar materials. This study clarifies the adsorption mechanisms of iodine and methyl iodide in these COFs and provides insights for designing advanced capture agents applicable to nuclear fuel processing.
{"title":"Enhanced iodine adsorption: Thiophene-based covalent organic frameworks for efficient capture of molecular iodine and iodomethane","authors":"Wangyang Wang , Ting Xu , Hang Bian , Liying Yin , Ning Zhang","doi":"10.1016/j.jssc.2025.125222","DOIUrl":"10.1016/j.jssc.2025.125222","url":null,"abstract":"<div><div>To enhance the secure processing of radioactive nuclear fuel, it is essential to develop capture agents that effectively adsorb both molecular and organic iodine species. Traditional iodine capture agents often face limitations in adsorption range, capacity, and reusability. In this study, we synthesized two thiophene-based covalent organic frameworks (COFs), TAPB-DTDA and TAPT-DTDA, <em>via</em> Schiff base reactions. These COFs possess high specific surface areas and electron-rich heteroatoms (N and S) to facilitate iodine capture. The COFs’ large surface areas, combined with electron-rich sites, significantly improve molecular iodine adsorption. Organic iodide capture is achieved through intermolecular interactions via methylation at nitrogen sites. TAPB-DTDA and TAPT-DTDA exhibited high adsorption capacities, with values of 5.95 g/g and 5.38 g/g for static iodine vapor, respectively. Additionally, their K₈₀<sub>%</sub> values were 1.05 g g<sup>-1</sup> h<sup>-1</sup> and 2.23 g g<sup>-1</sup> h<sup>-1</sup>, respectively, which outperformed the adsorption rates of most iodine adsorbents reported in the literature. For methyl iodide vapor, the adsorption capacities of TAPB-DTDA and TAPT-DTDA reached 1.02 g/g and 2.12 g/g, respectively, with TAPT-DTDA setting a new capacity record among similar materials. This study clarifies the adsorption mechanisms of iodine and methyl iodide in these COFs and provides insights for designing advanced capture agents applicable to nuclear fuel processing.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125222"},"PeriodicalIF":3.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136719","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 : 2025-01-23DOI: 10.1016/j.jssc.2025.125221
Xinyuan Zhang , Yingxue Liu , Rui Liu , Ziheng Xu , Qunxi Dai , Jie Ma , Yanli Gai , Kecai Xiong
Nanoarchitectonics of two organic cocrystals constituted by zwitterionic ligands 1,1′-bis(4-carboxyphenyl)-(4,4′-bipyridinium) dichloride (H2bcbpCl2) and 1,1′-bis(3,5-dicarboxyphenyl)-4,4′-bipyridinium dichloride (H4bdcbpCl2), has been successfully synthesized and characterized. Hydrogen bonding interactions play an important role in the formation of supramolecular slipped-stacking architecture of both compounds. It is worth noting that these two compounds can quickly change from brown to green upon exposure to ethylamine, indicating that the nucleophilic attack of ethylamine molecules on the viologen moieties in both compounds contributes to the formation of free viologen radicals. In addition, compound 1 also exhibits photochromic property, and, its color rapidly and noticeably changes from brown to green under the irradiation of xenon light due to the generation of free viologen radicals. However, compound 2 lacks photochromic property due to its relatively long distance of electron donor and acceptor.
{"title":"Nanoarchitectonics of two organic cocrystals with zwitterionic ligands: Structures, photochromic and chemochromic properties","authors":"Xinyuan Zhang , Yingxue Liu , Rui Liu , Ziheng Xu , Qunxi Dai , Jie Ma , Yanli Gai , Kecai Xiong","doi":"10.1016/j.jssc.2025.125221","DOIUrl":"10.1016/j.jssc.2025.125221","url":null,"abstract":"<div><div>Nanoarchitectonics of two organic cocrystals constituted by zwitterionic ligands 1,1′-bis(4-carboxyphenyl)-(4,4′-bipyridinium) dichloride (H<sub>2</sub>bcbpCl<sub>2</sub>) and 1,1′-bis(3,5-dicarboxyphenyl)-4,4′-bipyridinium dichloride (H<sub>4</sub>bdcbpCl<sub>2</sub>), has been successfully synthesized and characterized. Hydrogen bonding interactions play an important role in the formation of supramolecular slipped-stacking architecture of both compounds. It is worth noting that these two compounds can quickly change from brown to green upon exposure to ethylamine, indicating that the nucleophilic attack of ethylamine molecules on the viologen moieties in both compounds contributes to the formation of free viologen radicals. In addition, compound <strong>1</strong> also exhibits photochromic property, and, its color rapidly and noticeably changes from brown to green under the irradiation of xenon light due to the generation of free viologen radicals. However, compound <strong>2</strong> lacks photochromic property due to its relatively long distance of electron donor and acceptor.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125221"},"PeriodicalIF":3.2,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136751","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 : 2025-01-22DOI: 10.1016/j.jssc.2025.125218
Bo Li, Yueming Lin, Zhou Fang, RuiZe Yang, Xiaohong Zhu
Sodium-ion batteries, as one of the best alternatives to lithium-ion batteries, have a broad application prospect. Manganese-based oxide anode Na0.44MnO2 has attracted much attention due to its simple, environmentally friendly, and cost-effective synthesis method. However, continuous phase transition and kinetic retardation hinder its practical application. In this study, we synthesized trace Sn-doped Na0.44MnO2 using a solid-state method and obtained a cathode material Na0.44Mn0.99Sn0.01O2 (NMSO-1) with a more stable crystal lattice structure and faster sodium ion transport rate. The capacity retention of NMSO-1 cathode was 94.6 % after 200 cycles at 1C rate, and 91.6 % after 1000 cycles at 5C rate. The material analysis shows that the introduction of a small amount of Sn can increase the lattice spacing of the material and reduce its morphological particle size, which is conducive to the enhancement of the stability of the material structure and the shortening of the ion transport path, and the positive effect of Sn is quantitatively analyzed with the help of experiments and fitting calculations. This study provides a new scheme for the doping design of cathode materials with tunneling structure, which effectively improves the multiplication capacity and cycling performance of cathode material NMO.
{"title":"High-rate performance and long-cycle stability of Sn-doped Na0.44MnO2 cathode material","authors":"Bo Li, Yueming Lin, Zhou Fang, RuiZe Yang, Xiaohong Zhu","doi":"10.1016/j.jssc.2025.125218","DOIUrl":"10.1016/j.jssc.2025.125218","url":null,"abstract":"<div><div>Sodium-ion batteries, as one of the best alternatives to lithium-ion batteries, have a broad application prospect. Manganese-based oxide anode Na<sub>0.44</sub>MnO<sub>2</sub> has attracted much attention due to its simple, environmentally friendly, and cost-effective synthesis method. However, continuous phase transition and kinetic retardation hinder its practical application. In this study, we synthesized trace Sn-doped Na<sub>0.44</sub>MnO<sub>2</sub> using a solid-state method and obtained a cathode material Na<sub>0.44</sub>Mn<sub>0.99</sub>Sn<sub>0.01</sub>O<sub>2</sub> (NMSO-1) with a more stable crystal lattice structure and faster sodium ion transport rate. The capacity retention of NMSO-1 cathode was 94.6 % after 200 cycles at 1C rate, and 91.6 % after 1000 cycles at 5C rate. The material analysis shows that the introduction of a small amount of Sn can increase the lattice spacing of the material and reduce its morphological particle size, which is conducive to the enhancement of the stability of the material structure and the shortening of the ion transport path, and the positive effect of Sn is quantitatively analyzed with the help of experiments and fitting calculations. This study provides a new scheme for the doping design of cathode materials with tunneling structure, which effectively improves the multiplication capacity and cycling performance of cathode material NMO.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125218"},"PeriodicalIF":3.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142318","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 : 2025-01-22DOI: 10.1016/j.jssc.2025.125219
Jiawei Zhao , Lei Liu , Yuanhao Ma, Beibei Pan, Jiayu Liu, Zhenyuan Zhang, Yuebo Hu, Shujiang Liu
Borosilicate glass has certain toughness, and doping it into the brittle Li0.5La0.5TiO3 (LLTO) solid electrolyte can not only improve the mechanical strength, but also enhance the ionic conductivity. However, as the different components in the glass change, the degree of improvement in the ion conductivity of the composite solid electrolyte also varies. Herein, Li2O–B2O3–SiO2 (LBS) glasses with different Si/B ratio, Li2O–B2O3–SiO2–Al2O3 (LBSA) glasses with different B/Al ratio and LLTO solid electrolyte were prepared, respectively. The effects of adding these two types of glasses separately on the microstructure and ionic conductivity of the LLTO solid electrolyte were studied. At room temperature, the highest ionic conductivity observed in the solid electrolytes doped with LBS was 1.0 × 10−3 S cm−1, while the maximum value for LBSA glass-doped solid electrolyte reached 1.31 × 10−3 S cm−1. This research provides a new idea for the development of solid-state electrolytes.
{"title":"Ionic conductivity improvement of Li0.5La0.5TiO3 solid electrolyte by addition of borosilicate glasses","authors":"Jiawei Zhao , Lei Liu , Yuanhao Ma, Beibei Pan, Jiayu Liu, Zhenyuan Zhang, Yuebo Hu, Shujiang Liu","doi":"10.1016/j.jssc.2025.125219","DOIUrl":"10.1016/j.jssc.2025.125219","url":null,"abstract":"<div><div>Borosilicate glass has certain toughness, and doping it into the brittle Li<sub>0.5</sub>La<sub>0.5</sub>TiO<sub>3</sub> (LLTO) solid electrolyte can not only improve the mechanical strength, but also enhance the ionic conductivity. However, as the different components in the glass change, the degree of improvement in the ion conductivity of the composite solid electrolyte also varies. Herein, Li<sub>2</sub>O–B<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub> (LBS) glasses with different Si/B ratio, Li<sub>2</sub>O–B<sub>2</sub>O<sub>3</sub>–SiO<sub>2</sub>–Al<sub>2</sub>O<sub>3</sub> (LBSA) glasses with different B/Al ratio and LLTO solid electrolyte were prepared, respectively. The effects of adding these two types of glasses separately on the microstructure and ionic conductivity of the LLTO solid electrolyte were studied. At room temperature, the highest ionic conductivity observed in the solid electrolytes doped with LBS was 1.0 × 10<sup>−3</sup> S cm<sup>−1</sup>, while the maximum value for LBSA glass-doped solid electrolyte reached 1.31 × 10<sup>−3</sup> S cm<sup>−1</sup>. This research provides a new idea for the development of solid-state electrolytes.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125219"},"PeriodicalIF":3.2,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142400","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 : 2025-01-21DOI: 10.1016/j.jssc.2025.125216
Ze Chen, Yuping Li, Fuchao Ji, Xiaohong Liang, Haicheng Xuan, Lina Han, Peide Han
Economical and efficient synthesis of small-size SSZ-13 zeolite catalysts with CHA topology is attractive for reducing the nitrogen oxide (NOx) emissions from diesel vehicles. Herein, SSZ-13 zeolites were prepared using low-cost and environmental-friendly choline chloride (CC) as a template. The effects of additional sodium ions and dynamic stirring aging on the crystallization quality, solid yield and physicochemical properties of the obtained SSZ-13 were investigated by XRD, FT-IR, SEM, N2 sorption and TG-DTG techniques. The results show that three sodium salts (NaCl, NaF, and Na2SO4) and aging steps can improve the relative crystallinity and solid yield of the SSZ-13 zeolites to a certain extent. Meanwhile, it was found that sodium salt and aging process significantly changed the crystal morphology of SSZ-13 zeolite from irregular particle aggregates to regular and uniform cubic crystals. And the crystal size of obtained SSZ-13 zeolites also decreased from ∼3 μm to 250–400 nm (adding sodium salts) or ∼700 nm (adding aging steps), respectively. The decrease in the size of SSZ-13 crystals is mainly attributed to that the addition of additional sodium salts or aging steps promoted the formation of more CHA zeolite nuclei. Additionally, the influence of the Na+(NaF) content and aging time on the synthesis of SSZ-13 were explored, and the effect mechanism of additional sodium ions and aging steps in the current synthetic system were also discussed. Finally, the obtained Cu-SSZ-13 samples after Cu2+ exchange exhibits good catalytic performance for NH3-SCR of NOx reaction, and the NOx conversion remained over 90 % across a temperature window from ∼200 to ∼500 °C, demonstrating its application potentials in diesel vehicle exhausts purification.
{"title":"Economically and eco-friendly synthesis of SSZ-13 zeolite using choline chloride as template with the investigation effects of sodium ion and aging","authors":"Ze Chen, Yuping Li, Fuchao Ji, Xiaohong Liang, Haicheng Xuan, Lina Han, Peide Han","doi":"10.1016/j.jssc.2025.125216","DOIUrl":"10.1016/j.jssc.2025.125216","url":null,"abstract":"<div><div>Economical and efficient synthesis of small-size SSZ-13 zeolite catalysts with CHA topology is attractive for reducing the nitrogen oxide (NO<sub>x</sub>) emissions from diesel vehicles. Herein, SSZ-13 zeolites were prepared using low-cost and environmental-friendly choline chloride (CC) as a template. The effects of additional sodium ions and dynamic stirring aging on the crystallization quality, solid yield and physicochemical properties of the obtained SSZ-13 were investigated by XRD, FT-IR, SEM, N<sub>2</sub> sorption and TG-DTG techniques. The results show that three sodium salts (NaCl, NaF, and Na<sub>2</sub>SO<sub>4</sub>) and aging steps can improve the relative crystallinity and solid yield of the SSZ-13 zeolites to a certain extent. Meanwhile, it was found that sodium salt and aging process significantly changed the crystal morphology of SSZ-13 zeolite from irregular particle aggregates to regular and uniform cubic crystals. And the crystal size of obtained SSZ-13 zeolites also decreased from ∼3 μm to 250–400 nm (adding sodium salts) or ∼700 nm (adding aging steps), respectively. The decrease in the size of SSZ-13 crystals is mainly attributed to that the addition of additional sodium salts or aging steps promoted the formation of more CHA zeolite nuclei. Additionally, the influence of the Na<sup>+</sup>(NaF) content and aging time on the synthesis of SSZ-13 were explored, and the effect mechanism of additional sodium ions and aging steps in the current synthetic system were also discussed. Finally, the obtained Cu-SSZ-13 samples after Cu<sup>2+</sup> exchange exhibits good catalytic performance for NH<sub>3</sub>-SCR of NO<sub>x</sub> reaction, and the NO<sub>x</sub> conversion remained over 90 % across a temperature window from ∼200 to ∼500 °C, demonstrating its application potentials in diesel vehicle exhausts purification.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125216"},"PeriodicalIF":3.2,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136718","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 : 2025-01-20DOI: 10.1016/j.jssc.2025.125214
Guilan Chen , Zhihui Kang , Yuxiang Ma , Xiaoli Huang , Xiao Sun , Qianwen Wang
Porous magnesium hydroxide with high specific surface area is widely used in environmental applications. In traditional sol-gel methods, the preparation of high-surface-area porous magnesium hydroxide (HSA-PMH) necessitate the use of highly reactive alkoxide as a precursor, thereby limiting its development. Herein, HSA-PMH was prepared by a simple crosslinking ionic oligomer sol-gel method using MgCl2·6H2O as precursor, short-chain alkohol as solvent and triethylamine (TEA) as alkaline reagent and capping agent. The choice of alkohol solvent plays a significant role in influencing the degree of crystallinity, morphology and porosity of HSA-PMH. Alkohol solvent with high dielectric constant favors the formation of HSA-PMH. When the molar ratio of TEA to Mg2+ is 30:1 and methanol is used as the solvent, the specific surface area of HSA-PMH reaches 538 m2∙g−1. The Pb2+ adsorption properties of the HSA-PMH were further investigated. It was found that 98 % of the Pb2+ could be removed within 15 min, and the maximum adsorption capacity calculated by Langmuir isotherm model reached 4245 mg∙g−1. The results indicate that the synthesized HSA-PMH is an excellent adsorbent for Pb2+, boasting a high adsorption capacity and rapid rate of adsorption.
{"title":"Crosslinking ionic oligomers sol-gel synthesis of porous amorphous magnesium hydroxide and its application in Pb2+ adsorption","authors":"Guilan Chen , Zhihui Kang , Yuxiang Ma , Xiaoli Huang , Xiao Sun , Qianwen Wang","doi":"10.1016/j.jssc.2025.125214","DOIUrl":"10.1016/j.jssc.2025.125214","url":null,"abstract":"<div><div>Porous magnesium hydroxide with high specific surface area is widely used in environmental applications. In traditional sol-gel methods, the preparation of high-surface-area porous magnesium hydroxide (HSA-PMH) necessitate the use of highly reactive alkoxide as a precursor, thereby limiting its development. Herein, HSA-PMH was prepared by a simple crosslinking ionic oligomer sol-gel method using MgCl<sub>2</sub>·6H<sub>2</sub>O as precursor, short-chain alkohol as solvent and triethylamine (TEA) as alkaline reagent and capping agent. The choice of alkohol solvent plays a significant role in influencing the degree of crystallinity, morphology and porosity of HSA-PMH. Alkohol solvent with high dielectric constant favors the formation of HSA-PMH. When the molar ratio of TEA to Mg<sup>2+</sup> is 30:1 and methanol is used as the solvent, the specific surface area of HSA-PMH reaches 538 m<sup>2</sup>∙g<sup>−1</sup>. The Pb<sup>2+</sup> adsorption properties of the HSA-PMH were further investigated. It was found that 98 % of the Pb<sup>2+</sup> could be removed within 15 min, and the maximum adsorption capacity calculated by Langmuir isotherm model reached 4245 mg∙g<sup>−1</sup>. The results indicate that the synthesized HSA-PMH is an excellent adsorbent for Pb<sup>2+</sup>, boasting a high adsorption capacity and rapid rate of adsorption.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125214"},"PeriodicalIF":3.2,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136722","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 : 2025-01-20DOI: 10.1016/j.jssc.2025.125213
Mudassir Hussain Tahir , Mahmoud A.A. Ibrahim , Shaban R.M. Sayed , Denis Magero , Anthony Pembere
This work is based on a rapid framework that has ability to design novel polymers for organic solar cells. Dielectric constant is predicted using machine learning (ML) models. In organic solar cells, the dielectric constant is critical because it influences the efficiency of charge separation and reduces recombination losses by stabilizing charge carriers. A higher dielectric constant can enhance exciton dissociation and improve the overall power conversion efficiency of the solar cell. 10,000 new polymers were generated, and their dielectric constant values were predicted using ML. Generated database of polymers is visualized using various measures. Polymers with higher dielectric constant values were selected and their synthetic accessibility was assessed to aid future empirical measurements. Additionally, chemical similarity analysis revealed structural resemblance among the selected polymers. This framework provides a quick and easy method for finding the efficient materials.
{"title":"Dielectric constant prediction of polymers for organic solar cells and generation of library of new organic compounds","authors":"Mudassir Hussain Tahir , Mahmoud A.A. Ibrahim , Shaban R.M. Sayed , Denis Magero , Anthony Pembere","doi":"10.1016/j.jssc.2025.125213","DOIUrl":"10.1016/j.jssc.2025.125213","url":null,"abstract":"<div><div>This work is based on a rapid framework that has ability to design novel polymers for organic solar cells. Dielectric constant is predicted using machine learning (ML) models. In organic solar cells, the dielectric constant is critical because it influences the efficiency of charge separation and reduces recombination losses by stabilizing charge carriers. A higher dielectric constant can enhance exciton dissociation and improve the overall power conversion efficiency of the solar cell. 10,000 new polymers were generated, and their dielectric constant values were predicted using ML. Generated database of polymers is visualized using various measures. Polymers with higher dielectric constant values were selected and their synthetic accessibility was assessed to aid future empirical measurements. Additionally, chemical similarity analysis revealed structural resemblance among the selected polymers. This framework provides a quick and easy method for finding the efficient materials.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"345 ","pages":"Article 125213"},"PeriodicalIF":3.2,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136721","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 : 2025-01-19DOI: 10.1016/j.jssc.2025.125199
Zhan-Qing Yu , Yu-Mei Wang , Xin Zhang , Ya-Ru Gong , Xiao-Li Hu , Zhong-Min Su
The environment of human life especially in aqueous system becomes an attractive topic of the wastewater treatment investigation. With the development of chemical research, more and more wastewater treatment methods had become main trend in controlling water pollution. In this work, a new porous carbon material (Co/CoO-NC/Br) derived by one-step pyrolysis of cobalt metal-organic-framework (CUST-594) was synthesized. The obtained catalyst had excellent catalytic property and recycling features with peroxymonosulfate (PMS) activation process. The results indicated that 6 mg catalyst with 1.0 mL PMS (50 mg/L) had the degradation efficiency of 93.6 % of tetracycline (TC) in 20 min. The other experiment parameters like PMS and catalyst dosage, pH, temperature and interfering anions were also studied to verify the catalytic activity. In addition, this catalyst can deal with most part of aqueous system (pH = 5–9) and perform great cycling ability (after 5 cycles). The possible reaction mechanism was discussed and the main reaction substances were determined by scavenger experiments. This work provides a new way of synthesizing low cost, less side-effect catalyst to deal with most part of wastewater conditions.
{"title":"An efficient porous carbon catalyst derived by Cobalt-MOF precursor for degrading antibiotics in aqueous system","authors":"Zhan-Qing Yu , Yu-Mei Wang , Xin Zhang , Ya-Ru Gong , Xiao-Li Hu , Zhong-Min Su","doi":"10.1016/j.jssc.2025.125199","DOIUrl":"10.1016/j.jssc.2025.125199","url":null,"abstract":"<div><div>The environment of human life especially in aqueous system becomes an attractive topic of the wastewater treatment investigation. With the development of chemical research, more and more wastewater treatment methods had become main trend in controlling water pollution. In this work, a new porous carbon material (Co/CoO-NC/Br) derived by one-step pyrolysis of cobalt metal-organic-framework (CUST-594) was synthesized. The obtained catalyst had excellent catalytic property and recycling features with peroxymonosulfate (PMS) activation process. The results indicated that 6 mg catalyst with 1.0 mL PMS (50 mg/L) had the degradation efficiency of 93.6 % of tetracycline (TC) in 20 min. The other experiment parameters like PMS and catalyst dosage, pH, temperature and interfering anions were also studied to verify the catalytic activity. In addition, this catalyst can deal with most part of aqueous system (pH = 5–9) and perform great cycling ability (after 5 cycles). The possible reaction mechanism was discussed and the main reaction substances were determined by scavenger experiments. This work provides a new way of synthesizing low cost, less side-effect catalyst to deal with most part of wastewater conditions.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125199"},"PeriodicalIF":3.2,"publicationDate":"2025-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142399","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 : 2025-01-18DOI: 10.1016/j.jssc.2025.125210
Hong Zheng , Fengyan Ma , Meihua Ling , Ziqi Yang , Ran Ji , Yan Jiang , Li Li , Wenzhi Zhang
The charge separation efficiency and photocatalytic performance can be effectively improved by constructing heterojunction between an inorganic semiconductor and a metal-organic framework. Consequently, in this paper, Ce-MOF synthesized in a water bath was used as the precursor, and Ce-MOF/CdIn2S4/CdS multicomponent heterojunction composites were successfully prepared by microwave-assisted hydrothermal method. The rod-like Ce-MOF interspersed with CdIn2S4/CdS composite material with spherical morphology formed by CdIn2S4 nanosheets loaded around the center spherical CdS. Meanwhile, in ciprofloxacin (CIP) degradation experiments, the photocatalytic efficiency of 10 % Ce-MOF/CdIn2S4/CdS for CIP reached 76.7 % within 120 min of full-spectrum light irradiation; the corresponding kinetic rate constant was 0.0089 min−1. Its value was 12.7, 2.6, 2.6, 1.5, 1.4, 1.7, and 1.2 times higher than those of Ce-MOF, CdIn2S4, CdS, CdIn2S4/CdS, 5 % Ce-MOF/CdIn2S4/CdS, 20 % Ce-MOF/CdIn2S4/CdS, and 40 % Ce-MOF/CdIn2S4/CdS, respectively. The improved photocatalytic activity of 10 % Ce-MOF/CdIn2S4/CdS composite toward CIP is attributed to the synergistic effect between the unique Ce-MOF structure and multicomponent heterojunction. It not only promotes the tunable bandgap characteristics of the composite but also greatly prolongs the lifetime of photogenerated electrons (e−) and holes (h+), thereby improving the utilization efficiency of photogenerated carriers and enhancing the electron transfer efficiency at the interface. This speculation can be directly confirmed by photoelectric chemical experiments. The multicomponent heterojunction existed in photocatalyst system can be speculated by combined with active species capture experiment and energy band structure, which has a prominent application prospect in the treatment of antibiotic wastewater.
{"title":"The multicomponent heterostructure flower spherical Ce-MOF/CdIn2S4/CdS for ciprofloxacin photodegradation via effective electron transfer","authors":"Hong Zheng , Fengyan Ma , Meihua Ling , Ziqi Yang , Ran Ji , Yan Jiang , Li Li , Wenzhi Zhang","doi":"10.1016/j.jssc.2025.125210","DOIUrl":"10.1016/j.jssc.2025.125210","url":null,"abstract":"<div><div>The charge separation efficiency and photocatalytic performance can be effectively improved by constructing heterojunction between an inorganic semiconductor and a metal-organic framework. Consequently, in this paper, Ce-MOF synthesized in a water bath was used as the precursor, and Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS multicomponent heterojunction composites were successfully prepared by microwave-assisted hydrothermal method. The rod-like Ce-MOF interspersed with CdIn<sub>2</sub>S<sub>4</sub>/CdS composite material with spherical morphology formed by CdIn<sub>2</sub>S<sub>4</sub> nanosheets loaded around the center spherical CdS. Meanwhile, in ciprofloxacin (CIP) degradation experiments, the photocatalytic efficiency of 10 % Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS for CIP reached 76.7 % within 120 min of full-spectrum light irradiation; the corresponding kinetic rate constant was 0.0089 min<sup>−1</sup>. Its value was 12.7, 2.6, 2.6, 1.5, 1.4, 1.7, and 1.2 times higher than those of Ce-MOF, CdIn<sub>2</sub>S<sub>4</sub>, CdS, CdIn<sub>2</sub>S<sub>4</sub>/CdS, 5 % Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS, 20 % Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS, and 40 % Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS, respectively. The improved photocatalytic activity of 10 % Ce-MOF/CdIn<sub>2</sub>S<sub>4</sub>/CdS composite toward CIP is attributed to the synergistic effect between the unique Ce-MOF structure and multicomponent heterojunction. It not only promotes the tunable bandgap characteristics of the composite but also greatly prolongs the lifetime of photogenerated electrons (e<sup>−</sup>) and holes (h<sup>+</sup>), thereby improving the utilization efficiency of photogenerated carriers and enhancing the electron transfer efficiency at the interface. This speculation can be directly confirmed by photoelectric chemical experiments. The multicomponent heterojunction existed in photocatalyst system can be speculated by combined with active species capture experiment and energy band structure, which has a prominent application prospect in the treatment of antibiotic wastewater.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125210"},"PeriodicalIF":3.2,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142398","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 creation and fabrication of inexpensive and efficacious catalysts for the oxygen evolution reaction (OER) hold great significance for advancing water electrolysis technology. In this study, CeO2 and Co3O4 heterostructure was synthesized in situ on nickel foam using a two-step electrodeposition process followed by calcination, and it was used as the electrode material for OER. The material exhibits a low overpotential of 284 mV at a current density of 10 mA cm−2 and a small Tafel slope of 35.5 mV dec−1. The enhanced activity of the composite is attributed to rapid charge transfer and the synergistic effect between Co and Ce metal oxides. Meanwhile, the composite exhibits great stability in alkaline electrolyte.
{"title":"In-situ construction of CeO2–Co3O4 heterostructure on nickel foam for efficient oxygen evolution reaction","authors":"Yushi Guo, Yaxuan Chen, Chen Wang, Guolin Zhang, Qiuhua Wu","doi":"10.1016/j.jssc.2025.125209","DOIUrl":"10.1016/j.jssc.2025.125209","url":null,"abstract":"<div><div>The creation and fabrication of inexpensive and efficacious catalysts for the oxygen evolution reaction (OER) hold great significance for advancing water electrolysis technology. In this study, CeO<sub>2</sub> and Co<sub>3</sub>O<sub>4</sub> heterostructure was synthesized in situ on nickel foam using a two-step electrodeposition process followed by calcination, and it was used as the electrode material for OER. The material exhibits a low overpotential of 284 mV at a current density of 10 mA cm<sup>−2</sup> and a small Tafel slope of 35.5 mV dec<sup>−1</sup>. The enhanced activity of the composite is attributed to rapid charge transfer and the synergistic effect between Co and Ce metal oxides. Meanwhile, the composite exhibits great stability in alkaline electrolyte.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"344 ","pages":"Article 125209"},"PeriodicalIF":3.2,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143142395","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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