Inorganic Chemistry Communications最新文献

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Study of hydrogen storage potential, optoelectronic and thermoelectric response of double perovskites hydrides X2CuAlH6 (X = Li, Na) for renewable energy

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-03-01 DOI: 10.1016/j.inoche.2025.114208

Noura Dawas Alkhaldi

Double perovskite (DP) hydrides have emerged as potential candidates for efficient hydrogen (H₂) storage materials. The current study has elucidated the chemical composition, hydrogen storage, optical, and wasted heat transformation into power. The tolerance factor confirms the structural stability and the negative formation energies confirm their thermodynamic stability. Li₂CuAlH₆ and Na₂CuAlH₆ have revealed H₂ storage capacities of 5.49 % and 4.25 %, respectively. Moreover, the volumetric storage capacity of 47.67

g . H_{2} / L

and 43.12

g . H_{2} / L

, respectively. The predicted mechanical constants indicate the mechanical stability of the DP hydrides. The predicted values of mechanical parameters have predicted the ductile nature and anisotropic characteristics. The electronic characteristics suggested that Li₂CuAlH₆ and Na₂CuAlH₆ have an energy gap of 0.84 and 0.71 eV. The optical properties, including absorption, reflectivity, and energy loss, have been calculated, which confirm the applicability of Li₂CuAlH₆ and Na₂CuAlH₆ for optoelectronics. Finally, the thermoelectric attributes and ZT parameters were computed, and they were found to be 0.74 and 0.44 for Li₂CuAlH₆ and Na₂CuAlH₆, respectively. This analysis shows that Li₂CuAlH₆ has a stronger potential for thermal power generation. Consequently, Li₂CuAlH₆ and Na₂CuAlH₆ are compelling candidates for hydrogen storage and energy conversion applications.

{"title":"Study of hydrogen storage potential, optoelectronic and thermoelectric response of double perovskites hydrides X2CuAlH6 (X = Li, Na) for renewable energy","authors":"Noura Dawas Alkhaldi","doi":"10.1016/j.inoche.2025.114208","DOIUrl":"10.1016/j.inoche.2025.114208","url":null,"abstract":"<div><div>Double perovskite (DP) hydrides have emerged as potential candidates for efficient hydrogen (H2) storage materials. The current study has elucidated the chemical composition, hydrogen storage, optical, and wasted heat transformation into power. The tolerance factor confirms the structural stability and the negative formation energies confirm their thermodynamic stability. Li2CuAlH6 and Na2CuAlH6 have revealed H2 storage capacities of 5.49 % and 4.25 %, respectively. Moreover, the volumetric storage capacity of 47.67 <math><mrow><mi>g</mi><mo>.</mo><msub><mi>H</mi><mn>2</mn></msub><mo>/</mo><mi>L</mi></mrow></math> and 43.12 <math><mrow><mi>g</mi><mo>.</mo><msub><mi>H</mi><mn>2</mn></msub><mo>/</mo><mi>L</mi></mrow></math>, respectively. The predicted mechanical constants indicate the mechanical stability of the DP hydrides. The predicted values of mechanical parameters have predicted the ductile nature and anisotropic characteristics. The electronic characteristics suggested that Li2CuAlH6 and Na2CuAlH6 have an energy gap of 0.84 and 0.71 eV. The optical properties, including absorption, reflectivity, and energy loss, have been calculated, which confirm the applicability of Li2CuAlH6 and Na2CuAlH6 for optoelectronics. Finally, the thermoelectric attributes and ZT parameters were computed, and they were found to be 0.74 and 0.44 for Li2CuAlH6 and Na2CuAlH6, respectively. This analysis shows that Li2CuAlH6 has a stronger potential for thermal power generation. Consequently, Li2CuAlH6 and Na2CuAlH6 are compelling candidates for hydrogen storage and energy conversion applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114208"},"PeriodicalIF":4.4,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548752","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}

引用次数: 0

Development and application of a cucurbit[6]uril-based supramolecular assembly for specific detection of berberine in water

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-03-01 DOI: 10.1016/j.inoche.2025.114168

Lulu Shi , Lin Wang , Yu Pang , Mei Liu , Si Wen , Mingchun Li

The extensive use of antibiotics has resulted in the contamination of soil and groundwater, presenting a significant threat to ecosystems. However, the specific detection of antibiotic types in aquatic environments is hindered by high costs and lengthy procedures. Supramolecular fluorescence sensors are regarded as the most promising chemical sensors due to their exceptional stability, high sensitivity, and remarkable fluorescence properties. In this study, cucurbit[6]uril-based supramolecular assembly ((HSA)(CB[6]), (CB[6] = cucurbit[6]uril, HSA = 2-hydroxy-5-sulfobenzoic acid dihydrate) was prepared under solvothermal conditions, utilizing HSA as a structural directing agent. This assembly was employed for the efficient and specific detection of the antibiotic berberine (BER) in water. The experimental results indicate that (HSA)(CB[6]) exhibits excellent acid and alkali resistance as well as recovery performance. Furthermore, the limit of detection for BER in water was determined to be 0.15 μM, with a response time of 7 s. Additionally, (HSA)(CB[6]) was utilized to detect BER in river and lake water, yielding satisfactory recovery rates of 101.8–107.2 % in river water and 95.3–97.2 % in lake water. Moreover, a clear explanation of the mechanism underlying the luminescence quenching of BER for (HSA)(CB[6]) specificity detection is provided.

{"title":"Development and application of a cucurbit[6]uril-based supramolecular assembly for specific detection of berberine in water","authors":"Lulu Shi , Lin Wang , Yu Pang , Mei Liu , Si Wen , Mingchun Li","doi":"10.1016/j.inoche.2025.114168","DOIUrl":"10.1016/j.inoche.2025.114168","url":null,"abstract":"<div><div>The extensive use of antibiotics has resulted in the contamination of soil and groundwater, presenting a significant threat to ecosystems. However, the specific detection of antibiotic types in aquatic environments is hindered by high costs and lengthy procedures. Supramolecular fluorescence sensors are regarded as the most promising chemical sensors due to their exceptional stability, high sensitivity, and remarkable fluorescence properties. In this study, cucurbit[6]uril-based supramolecular assembly ((HSA)(CB[6]), (CB[6] = cucurbit[6]uril, HSA = 2-hydroxy-5-sulfobenzoic acid dihydrate) was prepared under solvothermal conditions, utilizing HSA as a structural directing agent. This assembly was employed for the efficient and specific detection of the antibiotic berberine (BER) in water. The experimental results indicate that (HSA)(CB[6]) exhibits excellent acid and alkali resistance as well as recovery performance. Furthermore, the limit of detection for BER in water was determined to be 0.15 μM, with a response time of 7 s. Additionally, (HSA)(CB[6]) was utilized to detect BER in river and lake water, yielding satisfactory recovery rates of 101.8–107.2 % in river water and 95.3–97.2 % in lake water. Moreover, a clear explanation of the mechanism underlying the luminescence quenching of BER for (HSA)(CB[6]) specificity detection is provided.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114168"},"PeriodicalIF":4.4,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549280","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}

引用次数: 0

Superior supercapattery performance enabled by MnS/Fe2O3 nanosheets and theoretical evaluation of contributing currents

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-03-01 DOI: 10.1016/j.inoche.2025.114171

Asmaa F. Kassem , Najam Ul Hassan , Mohsan Jelani , Ebraheem Abdu Musad Saleh , M.M. Moharam , Raed H. Althomali , Sana Ullah Asif , Kakul Husain , Gehan A. Hammouda

Supercapattery has attracted significant attention for its exceptional energy storage capabilities. These devices provide far higher energy and power densities than supercapacitors and batteries. Herein, we investigate the novel MnS/Fe₂O₃ nanosheets (NS), synthesized by rapid, low cost and facile co-precipitation approach for supercapattery applications. A detailed structural, morphological and electrochemical analysis of synthesized materials, have been carried out. Benefiting from the enhanced surface area, MnS/Fe₂O₃ NS exhibits higher energy density of 90 Wh kg⁻¹ at power density of 5800 W kg⁻¹, as well superior specific capacitance of 950 F g⁻¹ as compared to the pristine MnS (470 F g⁻¹) with in potential window of −0.2 to 0.75 V. The initial characterization of synthesized material anticipates the battery type nature which was verified via theoretical Dunn’s differentiation approach. Due to the superior electrochemical performance, the electrode was further considered for supercapattery applications. A full cell supercapattery is fabricated by MnS/Fe₂O₃ NS as anode and reduce graphene oxide (rGO) as cathode which shows higher specific capacitance of 220 F g⁻¹ at 1 A g⁻¹ current density, demonstrating higher energy density 120 Wh kg⁻¹ and power density of 6050 W kg⁻¹. The device also exhibits outstanding capacitance retention (90 %) and coulombic efficiency (95 %) at 20 A g⁻¹ over 3000 cycles.

{"title":"Superior supercapattery performance enabled by MnS/Fe2O3 nanosheets and theoretical evaluation of contributing currents","authors":"Asmaa F. Kassem , Najam Ul Hassan , Mohsan Jelani , Ebraheem Abdu Musad Saleh , M.M. Moharam , Raed H. Althomali , Sana Ullah Asif , Kakul Husain , Gehan A. Hammouda","doi":"10.1016/j.inoche.2025.114171","DOIUrl":"10.1016/j.inoche.2025.114171","url":null,"abstract":"<div><div>Supercapattery has attracted significant attention for its exceptional energy storage capabilities. These devices provide far higher energy and power densities than supercapacitors and batteries. Herein, we investigate the novel MnS/Fe2O3 nanosheets (NS), synthesized by rapid, low cost and facile co-precipitation approach for supercapattery applications. A detailed structural, morphological and electrochemical analysis of synthesized materials, have been carried out. Benefiting from the enhanced surface area, MnS/Fe2O3 NS exhibits higher energy density of 90 Wh kg−1 at power density of 5800 W kg−1, as well superior specific capacitance of 950 F g−1 as compared to the pristine MnS (470 F g−1) with in potential window of −0.2 to 0.75 V. The initial characterization of synthesized material anticipates the battery type nature which was verified via theoretical Dunn’s differentiation approach. Due to the superior electrochemical performance, the electrode was further considered for supercapattery applications. A full cell supercapattery is fabricated by MnS/Fe2O3 NS as anode and reduce graphene oxide (rGO) as cathode which shows higher specific capacitance of 220 F g−1 at 1 A g−1 current density, demonstrating higher energy density 120 Wh kg−1 and power density of 6050 W kg−1. The device also exhibits outstanding capacitance retention (90 %) and coulombic efficiency (95 %) at 20 A g−1 over 3000 cycles.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114171"},"PeriodicalIF":4.4,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548758","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}

引用次数: 0

Design of silicon-decorated T-graphene flake for hydroxyurea drug sensing applications

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114224

Ayman M. Al-Qaaneh , Fadhel F. Sead , Jayanti Makasana , Subbulakshmi Ganesan , Aman Shankhyan , Karthikeyan Jayabalan , Aziz Kubaev , Subhashree Ray , Mounir M. Bekhit

In this study, an in-depth examination and comparison of sensing capabilities and adsorption characteristics of pure and modified T-graphene (TG) have been investigated applying density functional theory (DFT) for medication molecules, Hydroxyurea (HU). Lately, the metallic nature of TG has become known. Our findings indicate that Si-decoration TG (Si-TG) notably influences the electronic features of the TG sheet. Through DFT computations, it is demonstrated that energy band gap (E_g) of TG sheet diminishes due to the incorporation of the Si atom. Following this, the HU medication is physically adsorbed to the TG surface with a low adsorption energy of around −0.30 eV. Nevertheless, adsorption energy (E_ad) of HU on Si-TG escalated by roughly −4.23 eV in contrast to pure TG. A sensor based on Si-TG is developed to assess the sensitivity of the HU molecule based on adsorption energy. The TG’s sensitivity to HU is observed to be below 10 %, whereas Si-TG exhibits a much higher sensitivity to HU, reaching up to 89 %. Based on the findings, it is implied that Si-TG holds promising potential for diverse applications across various fields like drug delivery and detection, particularly for HU medication.

{"title":"Design of silicon-decorated T-graphene flake for hydroxyurea drug sensing applications","authors":"Ayman M. Al-Qaaneh , Fadhel F. Sead , Jayanti Makasana , Subbulakshmi Ganesan , Aman Shankhyan , Karthikeyan Jayabalan , Aziz Kubaev , Subhashree Ray , Mounir M. Bekhit","doi":"10.1016/j.inoche.2025.114224","DOIUrl":"10.1016/j.inoche.2025.114224","url":null,"abstract":"<div><div>In this study, an in-depth examination and comparison of sensing capabilities and adsorption characteristics of pure and modified T-graphene (TG) have been investigated applying density functional theory (DFT) for medication molecules, Hydroxyurea (HU). Lately, the metallic nature of TG has become known. Our findings indicate that Si-decoration TG (Si-TG) notably influences the electronic features of the TG sheet. Through DFT computations, it is demonstrated that energy band gap (Eg) of TG sheet diminishes due to the incorporation of the Si atom. Following this, the HU medication is physically adsorbed to the TG surface with a low adsorption energy of around −0.30 eV. Nevertheless, adsorption energy (Ead) of HU on Si-TG escalated by roughly −4.23 eV in contrast to pure TG. A sensor based on Si-TG is developed to assess the sensitivity of the HU molecule based on adsorption energy. The TG’s sensitivity to HU is observed to be below 10 %, whereas Si-TG exhibits a much higher sensitivity to HU, reaching up to 89 %. Based on the findings, it is implied that Si-TG holds promising potential for diverse applications across various fields like drug delivery and detection, particularly for HU medication.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114224"},"PeriodicalIF":4.4,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548753","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}

引用次数: 0

Reactivity study of tris(imido) chromium(VI) complexes

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114183

Qi Wang, Yiru Fan, Pengcheng Wu

The π-loaded complexes K[(^tBuN)₃CrCl] and (^tBuN)₃Cr(PPh₃) can be protonated by pyridinium chloride, yielding (^tBuN)₂Cr(NH^tBu)Cl. Additionally, ^tBuOH can protonate K[(^tBuN)₃CrCl] to form (^tBuN)₂Cr(O^tBu)₂. K[(^tBuN)₃CrCl] can also be protonated by cyclopentadiene to form (^tBuN)₂Cr(NH^tBu)(η⁵-C₅H₅). Besides, tris(imido) chromium(VI) complexes can participate in cycloaddition reactions with ^tBuNCO, generating (^tBuN)₂Cr{[^tBuNC(O)]₂N^tBu}. These reaction results indicate that the reactivity of imido ligands in π-loaded tris(imido) chromium(VI) complexes is significantly enhanced compared to less π-loaded bis(imido) chromium(VI) complexes.

引用次数: 0

Green synthesized yttrium-doped ZnO nanoparticles: A multifaceted approach to mosquito control, antibacterial activity, cytotoxic properties of liver cancer cells, and photocatalytic properties

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114225

Chinnaperumal Kamaraj , Chinnasamy Ragavendran , Selvam Naveenkumar , Khalid A. Al-Ghanim , Arumugam Priyadharsan , Cittrarasu Vetrivel

This study explores the synthesis and evaluation of environmentally friendly yttrium-doped zinc oxide (Yt-ZnO) nanoparticles (NPs). The objective is to address the rising global health threat of mosquito-borne diseases and the environmental challenges associated with conventional pesticide use. Yt-ZnO NPs were successfully synthesized via a green method, incorporating yttrium (Yt), a rare-earth element, and an extraction from fresh Phyla nodiflora leaves. In addition to their known antibacterial and anticancer properties, these nanoparticles are being explored for their potential use in mosquito vector control. The larvicidal experiments were carried out using Yt-ZnO NPs and P. nodiflora leaf extract at different doses and exhibited significant mortalities with LC₅₀ = 35.19, 22.70 and 15.19 µg/mL on Ae. Aegypti, and An. stephensi at 24-h. Additionally, the Yt-ZnO NPs were found to be highly effective against Staphylococcus aureus and Escherichia coli, showing significant zones of inhibition (16.88 mm and 16.24 mm, respectively). They also exhibited promising anticancer activity against the Huh-7 cell line, with an IC₅₀ value of 25.13 μg/mL. Furthermore, Yt-ZnO NPs achieved 92 % degradation of RhB dye in 135 min, demonstrating their high photocatalytic activity. The fluorescent characteristic of Yt-ZnO NPs can be utilised to drug delivery along with cell imaging applications using biosensors. The research findings show that green-synthesized Yt-ZnO NPs are cost-effective, environmentally friendly, and exhibit larvicidal, antibacterial, anticancer, and photocatalytic properties.

{"title":"Green synthesized yttrium-doped ZnO nanoparticles: A multifaceted approach to mosquito control, antibacterial activity, cytotoxic properties of liver cancer cells, and photocatalytic properties","authors":"Chinnaperumal Kamaraj , Chinnasamy Ragavendran , Selvam Naveenkumar , Khalid A. Al-Ghanim , Arumugam Priyadharsan , Cittrarasu Vetrivel","doi":"10.1016/j.inoche.2025.114225","DOIUrl":"10.1016/j.inoche.2025.114225","url":null,"abstract":"<div><div>This study explores the synthesis and evaluation of environmentally friendly yttrium-doped zinc oxide (Yt-ZnO) nanoparticles (NPs). The objective is to address the rising global health threat of mosquito-borne diseases and the environmental challenges associated with conventional pesticide use. Yt-ZnO NPs were successfully synthesized via a green method, incorporating yttrium (Yt), a rare-earth element, and an extraction from fresh Phyla nodiflora leaves. In addition to their known antibacterial and anticancer properties, these nanoparticles are being explored for their potential use in mosquito vector control. The larvicidal experiments were carried out using Yt-ZnO NPs and P. nodiflora leaf extract at different doses and exhibited significant mortalities with LC50 = 35.19, 22.70 and 15.19 µg/mL on Ae. Aegypti, and An. stephensi at 24-h. Additionally, the Yt-ZnO NPs were found to be highly effective against Staphylococcus aureus and Escherichia coli, showing significant zones of inhibition (16.88 mm and 16.24 mm, respectively). They also exhibited promising anticancer activity against the Huh-7 cell line, with an IC50 value of 25.13 μg/mL. Furthermore, Yt-ZnO NPs achieved 92 % degradation of RhB dye in 135 min, demonstrating their high photocatalytic activity. The fluorescent characteristic of Yt-ZnO NPs can be utilised to drug delivery along with cell imaging applications using biosensors. The research findings show that green-synthesized Yt-ZnO NPs are cost-effective, environmentally friendly, and exhibit larvicidal, antibacterial, anticancer, and photocatalytic properties.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114225"},"PeriodicalIF":4.4,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548748","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}

引用次数: 0

Ultra-facile mechanochemical synthesis of sodium and silver metaperiodate at room temperature

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114219

Malin C. Dixon Wilkins , Martin C. Stennett , Neil C. Hyatt

Ultra-facile mechanochemical synthesis of single phase metaperiodates, AgIO₄ and NaIO₄, was achieved in a matter of minutes by gentle grinding of AgNO₃ or NaNO₃ with orthoperiodic acid, H₅IO₆, at room temperature. The reaction mechanism is hypothesised to involve the equilibrium between H₅IO₆ and HIO₄, effected under the tribological conditions of grinding, leading to the release of H₂O, production of metaperiodate species, and formation of the products by dissolution – precipitation, as evidenced by powder X-ray diffraction and Scanning Electron Microscopy data. Time resolved X-ray diffraction demonstrated that initial grinding of reagents, over 60 s, is sufficient to initiate the reaction. The mechanochemical method presented here meets the need for a simple, safe, scalable and sustainable approach to the synthesis of sodium and silver metaperiodates.

引用次数: 0

Facile construction of MnCo2O4/CeO2 electrode with oxygen vacancies for asymmetric supercapacitor

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114229

Liying Chen , Liyan Wang , Meijia Liu , Jia Liu , Shanshan Xiao , Fei Bi , Li Zhao , Lei Chen , Yingqi Li

A MnCo₂O₄/CeO₂ electrode with oxygen vacancies (rMnCo₂O₄/rCeO₂) was prepared by water bath synthesis, annealing, and NaBH₄ reduction procedure. The improved electrochemical performance of the rMnCo₂O₄/rCeO₂ electrode is attributed to the diversified atomic valence states, the presence of oxygen vacancies, and the synergistic interaction between the two components. The rMnCo₂O₄/rCeO₂ electrode can provide more electroactive sites, accelerate the dynamic reaction, improve the diffusion rate of ions and conductivity, and thus improve the electrochemical performance. The rMnCo₂O₄/rCeO₂ electrode has 1062 F/g specific capacitance (C_s) at 1 A/g. The energy density of asymmetric supercapacitors (ASCs) with rMnCo₂O₄/rCeO₂ as positive electrode and activated carbon (AC) as negative electrode is 40.27 Wh/kg at 800 W/kg. This study provides a positive reference for the design of other composite electrode materials with oxygen vacancies.

{"title":"Facile construction of MnCo2O4/CeO2 electrode with oxygen vacancies for asymmetric supercapacitor","authors":"Liying Chen , Liyan Wang , Meijia Liu , Jia Liu , Shanshan Xiao , Fei Bi , Li Zhao , Lei Chen , Yingqi Li","doi":"10.1016/j.inoche.2025.114229","DOIUrl":"10.1016/j.inoche.2025.114229","url":null,"abstract":"<div><div>A MnCo2O4/CeO2 electrode with oxygen vacancies (rMnCo2O4/rCeO2) was prepared by water bath synthesis, annealing, and NaBH4 reduction procedure. The improved electrochemical performance of the rMnCo2O4/rCeO2 electrode is attributed to the diversified atomic valence states, the presence of oxygen vacancies, and the synergistic interaction between the two components. The rMnCo2O4/rCeO2 electrode can provide more electroactive sites, accelerate the dynamic reaction, improve the diffusion rate of ions and conductivity, and thus improve the electrochemical performance. The rMnCo2O4/rCeO2 electrode has 1062 F/g specific capacitance (Cs) at 1 A/g. The energy density of asymmetric supercapacitors (ASCs) with rMnCo2O4/rCeO2 as positive electrode and activated carbon (AC) as negative electrode is 40.27 Wh/kg at 800 W/kg. This study provides a positive reference for the design of other composite electrode materials with oxygen vacancies.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"176 ","pages":"Article 114229"},"PeriodicalIF":4.4,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548749","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}

引用次数: 0

Assessment of electrical conductivity and thermal expansion in scandium-zirconium ceramic directly derived from red mud

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114227

L.A. Pasechnik , D.I. Pereverzev , I.V. Shamsutov , I.S. Medyankina , E.P. Antonova , A.Yu. Suntsov

Scandium-zirconium concentrates, extracted from leachate following carbonate treatment of red mud, were processed to produce sintering scandia-stabilised zirconia (ScSZ) ceramics. The formation of solid solution between ZrO₂ and Sc₂O₃ oxides was corroborated by X-ray diffraction (XRD) analysis. The chemical analysis indicated that the molar ratio of Zr to Sc lies between 3 and 4 which accept to the doping states up to 0.25 in ScSZ. The formation of impurity phases was observed in different concentrates with excesses of Zr, Ca, and Ti, which affected the electrochemical properties. The thermal expansion coefficient values of all ceramics were found to lie 10–11⋅10⁻⁶ K⁻¹ which aligns with the values observed in co-doped Sc and Y zirconia. The presented ceramics with high electrical conductivity and low expansion coefficient can regarded as promising candidates for high-temperature applications.

引用次数: 0

Efficient catalytic epoxidation of olefins over V-substituted Keggin-type polyoxometalate hybrids

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications

Pub Date : 2025-02-28 DOI: 10.1016/j.inoche.2025.114172

Yifei Liu , Xue Bai , Yixuan Zhang , Maochun Zhu , Bin Li , Shuxia Liu

Vanadium-substituted Keggin-type polyoxometalates have higher redox ability compared to traditional polyoxometalates, making them excellent oxidation catalysts. In this study, three isostructural polyoxometalate-based inorganic–organic hybrids [Cu₂(4,4′-bipy)₃(H₂O)₂(μ₂-OH)₂(H_n+1PMo_12-nV_nO₄₀)]·4H₂O (n = 1, 2, 3; 4,4′-bipy = 4,4-bipyridine) were successfully synthesized by introducing transition metal ion Cu²⁺ into vanadium-substituted Keggin-type polyoxometalates with different numbers under hydrothermal conditions. Cu²⁺ exhibited a saturated six-coordinate structure. Experimental results showed that compounds 1–3 effectively catalyzed the epoxidation reaction of cyclooctene at 35 °C when using oxygen as oxidant. Compound 3 remained active and stable after four cycles. Furthermore, compound 3 demonstrated good substrate universality and could catalyze the epoxidation reactions of various olefins.

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