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Designing of novel hexamine-phenylenediamine covalent organic framework - metal oxide composites as electrode materials for supercapacitors

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-18 DOI: 10.1016/j.flatc.2025.100835

Ishu Khatri , Priya Siwach , Latisha Gaba , Sajjan Dahiya , Rajesh Punia , A.S. Maan , Kuldeep Singh , I.M. Ashraf , Mohd. Shkir , Anil Ohlan

Covalent organic framework (COF) materials since their inception in 2005 have seen extensive applications in various fields including environmental remediation, photo-catalysts, electrocatalysis and in integrated devices to improve thermal and mechanical stability besides their application in energy storage systems such as batteries and supercapacitors. In this work, we report easily synthesizable, low-cost, chemically stable amine-based COF/metal oxide composites to function as high-performance supercapacitor (SC) electrodes. A one-step hydrothermal method has been used for the facile synthesis of Hexamine-phenylenediamine (HPd) COF and three COF/metal oxide composites- HPd/MoO₂, HPd/NiO, and HPd/ZnO, respectively. Initial characterization techniques employed included powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Field-emission scanning electron microscopy (FESEM), which show successful synthesis of the COF/metal oxide composites. The electrochemical investigation found the specific capacitances to be 181.1, 177.4, and 394.3 F/g for HPd/MoO₂, HPd/NiO, and HPd/ZnO, respectively, at the current density of 0.5 A/g. The specific energy was found to be highest in the case of HPd/ZnO at 39.43 Wh/kg at 0.5 A/g. The work presents effective prospects for designing novel COF composites as electrode materials for SC applications.

{"title":"Designing of novel hexamine-phenylenediamine covalent organic framework - metal oxide composites as electrode materials for supercapacitors","authors":"Ishu Khatri , Priya Siwach , Latisha Gaba , Sajjan Dahiya , Rajesh Punia , A.S. Maan , Kuldeep Singh , I.M. Ashraf , Mohd. Shkir , Anil Ohlan","doi":"10.1016/j.flatc.2025.100835","DOIUrl":"10.1016/j.flatc.2025.100835","url":null,"abstract":"<div><div>Covalent organic framework (COF) materials since their inception in 2005 have seen extensive applications in various fields including environmental remediation, photo-catalysts, electrocatalysis and in integrated devices to improve thermal and mechanical stability besides their application in energy storage systems such as batteries and supercapacitors. In this work, we report easily synthesizable, low-cost, chemically stable amine-based COF/metal oxide composites to function as high-performance supercapacitor (SC) electrodes. A one-step hydrothermal method has been used for the facile synthesis of Hexamine-phenylenediamine (HPd) COF and three COF/metal oxide composites- HPd/MoO<sub>2</sub>, HPd/NiO, and HPd/ZnO, respectively. Initial characterization techniques employed included powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and Field-emission scanning electron microscopy (FESEM), which show successful synthesis of the COF/metal oxide composites. The electrochemical investigation found the specific capacitances to be 181.1, 177.4, and 394.3 F/g for HPd/MoO<sub>2</sub>, HPd/NiO, and HPd/ZnO, respectively, at the current density of 0.5 A/g. The specific energy was found to be highest in the case of HPd/ZnO at 39.43 Wh/kg at 0.5 A/g. The work presents effective prospects for designing novel COF composites as electrode materials for SC applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100835"},"PeriodicalIF":5.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synergistic combinational photothermal therapy-based approaches for cancer treatment

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-15 DOI: 10.1016/j.flatc.2025.100834

Gaurisha Alias Resha Ramnath Naik , Ashutosh Gupta , Deepanjan Datta , Mahesh More , Amrita Arup Roy , Ritu Kudarha , Paniz Hedayat , Sudheer Moorkoth , Srinivas Mutalik , Namdev Dhas

With millions of new cancer diagnoses annually, there is a pressing need for effective treatments. This review discusses innovative strategies in cancer therapy, aiming primarily at photothermal therapy (PTT) and its synergistic integration with various therapeutic modalities. PTT uses heat produced from light absorption to destroy tumor cells, and recent advancements in nanomaterials significantly enhance its efficacy, stability, and biocompatibility. Key innovations include the development of hybrid polymeric nanoparticles, quantum dots, gold nanorods, silica nanoparticles, and organic and inorganic dyes. These materials improve photothermal conversion efficiency (PCE) through strong near-infrared (NIR) absorption properties, optimizing light absorption and thermal response. Advanced dye-based nanomaterials such as cyanine dyes and porphyrins bear an important role in this enhancement. The review emphasizes the importance of the tumor microenvironment in enabling targeted therapies and the development of conjugated polymers for localized treatment applications. Various approaches to augment PCE are discussed, including surface modification, using plasmonic materials, and incorporating photothermal agents into targeted delivery systems. By elucidating the synergistic interactions between PTT and complementary therapies, this article highlights the potential of nanomaterial-based strategies to revolutionize cancer treatment. The review advocates for multimodal approaches to overcome the drawbacks of current therapies, aiming to enhance treatment efficacy, improve patient quality of life, and minimize side effects.

{"title":"Synergistic combinational photothermal therapy-based approaches for cancer treatment","authors":"Gaurisha Alias Resha Ramnath Naik , Ashutosh Gupta , Deepanjan Datta , Mahesh More , Amrita Arup Roy , Ritu Kudarha , Paniz Hedayat , Sudheer Moorkoth , Srinivas Mutalik , Namdev Dhas","doi":"10.1016/j.flatc.2025.100834","DOIUrl":"10.1016/j.flatc.2025.100834","url":null,"abstract":"<div><div>With millions of new cancer diagnoses annually, there is a pressing need for effective treatments. This review discusses innovative strategies in cancer therapy, aiming primarily at photothermal therapy (PTT) and its synergistic integration with various therapeutic modalities. PTT uses heat produced from light absorption to destroy tumor cells, and recent advancements in nanomaterials significantly enhance its efficacy, stability, and biocompatibility. Key innovations include the development of hybrid polymeric nanoparticles, quantum dots, gold nanorods, silica nanoparticles, and organic and inorganic dyes. These materials improve photothermal conversion efficiency (PCE) through strong near-infrared (NIR) absorption properties, optimizing light absorption and thermal response. Advanced dye-based nanomaterials such as cyanine dyes and porphyrins bear an important role in this enhancement. The review emphasizes the importance of the tumor microenvironment in enabling targeted therapies and the development of conjugated polymers for localized treatment applications. Various approaches to augment PCE are discussed, including surface modification, using plasmonic materials, and incorporating photothermal agents into targeted delivery systems. By elucidating the synergistic interactions between PTT and complementary therapies, this article highlights the potential of nanomaterial-based strategies to revolutionize cancer treatment. The review advocates for multimodal approaches to overcome the drawbacks of current therapies, aiming to enhance treatment efficacy, improve patient quality of life, and minimize side effects.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100834"},"PeriodicalIF":5.9,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143453982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhancing graphene-based supercapacitors with plasma methods: A review

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-10 DOI: 10.1016/j.flatc.2025.100832

Khaled Abdou Ahmed Abdou Elsehsah , Zulkarnain Ahmad Noorden , Norhafezaidi Mat Saman , Noor Azlinda Ahmad , Mohd Faizal Hasan , Mohd Nazren Mohd Ghazali

Graphene aerogels (GAs) have emerged as promising materials for supercapacitor applications, yet traditional methods often fall short of achieving optimal surface modifications for enhanced electrochemical properties. The focus of the review is to explore the current techniques used in plasma treatment for GA, how these are effective, what can be done to improve the technology, and what further research is required to advance the field. Particular attention is given to oxygen and nitrogen plasma treatments, which have shown significant improvements in specific capacitance and cycling stability. Hydrogen plasma treatment assimilates hydrogen atoms into graphene, potentially augmenting chemical reactivity and charge transfer. The introduction of nitrogen into graphene through plasma treatment results in the incorporation of nitrogen atoms, which causes changes in the electrical and mechanical characteristics of the material. This can lead to higher capacitance and enhanced cycling stability, which means improved retention after charge-discharge cycles. The existing techniques are primarily focused on reduced graphene oxide and other graphene fibers or GA, but the studies are minimal, and a consensus on the overall reliability in achieving high capacitance is also seen to be less precise. This work proposes future directions to facilitate the development of high-performance, plasma-treated GA supercapacitors.

{"title":"Enhancing graphene-based supercapacitors with plasma methods: A review","authors":"Khaled Abdou Ahmed Abdou Elsehsah , Zulkarnain Ahmad Noorden , Norhafezaidi Mat Saman , Noor Azlinda Ahmad , Mohd Faizal Hasan , Mohd Nazren Mohd Ghazali","doi":"10.1016/j.flatc.2025.100832","DOIUrl":"10.1016/j.flatc.2025.100832","url":null,"abstract":"<div><div>Graphene aerogels (GAs) have emerged as promising materials for supercapacitor applications, yet traditional methods often fall short of achieving optimal surface modifications for enhanced electrochemical properties. The focus of the review is to explore the current techniques used in plasma treatment for GA, how these are effective, what can be done to improve the technology, and what further research is required to advance the field. Particular attention is given to oxygen and nitrogen plasma treatments, which have shown significant improvements in specific capacitance and cycling stability. Hydrogen plasma treatment assimilates hydrogen atoms into graphene, potentially augmenting chemical reactivity and charge transfer. The introduction of nitrogen into graphene through plasma treatment results in the incorporation of nitrogen atoms, which causes changes in the electrical and mechanical characteristics of the material. This can lead to higher capacitance and enhanced cycling stability, which means improved retention after charge-discharge cycles. The existing techniques are primarily focused on reduced graphene oxide and other graphene fibers or GA, but the studies are minimal, and a consensus on the overall reliability in achieving high capacitance is also seen to be less precise. This work proposes future directions to facilitate the development of high-performance, plasma-treated GA supercapacitors.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100832"},"PeriodicalIF":5.9,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Improvement strategies and research progress of silicon/graphite composites in lithium-ion batteries

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-08 DOI: 10.1016/j.flatc.2025.100833

Weitao Zhang , Peisong Han , Yiqing Liu , Xiaoming Lin , Yongbo Wu

As a high-performance energy storage device, lithium-ion batteries have a wide range of applications in electronic devices, electric vehicles and renewable energy. However, with the increasing market demand, the requirements for energy density, cycle stability and safety of batteries are becoming increasingly stringent. In the anode of lithium-ion batteries, silicon‑carbon composites have a promising application in lithium-ion batteries because they combine the high-capacity properties of silicon with the stability and conductivity of carbon, effectively enhancing the performance of the battery. Carbon materials are a class of carbon materials composed of carbon elements with a variety of isotopes, which are widely used in electrochemistry and energy storage, such as graphite, carbon nanotubes, graphene and so on. Among them, silicon/graphite composites have attracted much attention as anode materials for lithium-ion batteries due to their high theoretical specific capacity. However, there are still great challenges in terms of low silicon content, difficult compatibility between graphite and silicon interfaces, and cycling performance. Through strategies such as multi-component design, interfacial engineering and alloying, researchers can effectively improve their performance to meet the development needs of future battery technologies. This paper reviews the improvement strategies and research progress of silicon/graphite composites in lithium-ion batteries, and further delves into the optimization mechanisms and performance enhancement pathways of silicon/graphite composites.

{"title":"Improvement strategies and research progress of silicon/graphite composites in lithium-ion batteries","authors":"Weitao Zhang , Peisong Han , Yiqing Liu , Xiaoming Lin , Yongbo Wu","doi":"10.1016/j.flatc.2025.100833","DOIUrl":"10.1016/j.flatc.2025.100833","url":null,"abstract":"<div><div>As a high-performance energy storage device, lithium-ion batteries have a wide range of applications in electronic devices, electric vehicles and renewable energy. However, with the increasing market demand, the requirements for energy density, cycle stability and safety of batteries are becoming increasingly stringent. In the anode of lithium-ion batteries, silicon‑carbon composites have a promising application in lithium-ion batteries because they combine the high-capacity properties of silicon with the stability and conductivity of carbon, effectively enhancing the performance of the battery. Carbon materials are a class of carbon materials composed of carbon elements with a variety of isotopes, which are widely used in electrochemistry and energy storage, such as graphite, carbon nanotubes, graphene and so on. Among them, silicon/graphite composites have attracted much attention as anode materials for lithium-ion batteries due to their high theoretical specific capacity. However, there are still great challenges in terms of low silicon content, difficult compatibility between graphite and silicon interfaces, and cycling performance. Through strategies such as multi-component design, interfacial engineering and alloying, researchers can effectively improve their performance to meet the development needs of future battery technologies. This paper reviews the improvement strategies and research progress of silicon/graphite composites in lithium-ion batteries, and further delves into the optimization mechanisms and performance enhancement pathways of silicon/graphite composites.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100833"},"PeriodicalIF":5.9,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143388253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface functionalization of Ag-doped zirconium oxide layers for molecular alignment

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-08 DOI: 10.1016/j.flatc.2025.100831

Dong Wook Lee , Dae-Shik Seo

Ag-doped ZrO films were fabricated using a brush-based solution-coating process that integrated conventional film formation with alignment layer treatment in a single step. The films were doped with Ag at concentrations of 0, 10, and 20 wt%. Shear stress generated by brush-hair movements induced anisotropic micro- and nanogroove structures on the film surface, facilitating uniform liquid crystal (LC) alignment through geometric constraints. The LC alignment state was confirmed by polarized optical microscopy. The Ag-doped ZrO films exhibited a high polar anchoring energy of 1.82 × 10⁻³ J m⁻² and minimal hysteresis, indicating a weak image-sticking effect. Additionally, these films demonstrated an optical transmittance of 83.5 %, making them suitable for optoelectronic applications. Overall, Ag doping enhances the functionality of ZrO films as uniform LC alignment layers and broadens their potential for LC device applications.

引用次数: 0

Boosting energy storage capacity: Transition metal-modified binary nickel hydroxide hydrate composites for supercapattery application

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-03 DOI: 10.1016/j.flatc.2025.100830

M. Pershaanaa , N.K. Farhana , Z.L. Goh , Fathiah Kamarulazam , J. Liew , Shahid Bashir , K. Ramesh , S. Ramesh

Transition metal hydroxycarbonates are extensively studied in energy storage devices for their unique features: high redox activity, low polarization, better structural stability, and high energy features. Therefore, CuNi, MnNi, and CoNi carbonate hydroxide hydrate binary composites were synthesized as battery-grade electrode materials for supercapatteries, aiming to enhance conductivity through synergistic effects and tailored morphologies. The morphological modifications and their influence on the electrochemical performance have been systematically investigated. Copper-based nickel carbonate hydroxide hydrate (Cu@NCHH) composite grown on Ni-foam (NF) among the other pairs yields the highest specific capacity/specific capacitance of 736.50C g⁻¹/1486.38 F g⁻¹ owing to its highly exposed electroactive sites for rapid and better intercalation/de-intercalation of OH⁻ ions into the bulk material. Supercapattery fabricated by Cu@NCHH/NF coupled with activated carbon electrode (AC/NF) exhibits outstanding energy storage capacity (42.20 Wh/kg) with a maximum power density of 12.29 kW/kg. The device also displays a significant improvement in cycling performance up to 161 % over 1000 cycles and 97 % over 5000 cycles with almost 100 % coulombic efficiency. Overall, this work provides a facile and efficient method to produce highly performing binder-free binary nickel carbonate hydroxide hydrate composite (M@NCHH/NF) for supercapattery.

{"title":"Boosting energy storage capacity: Transition metal-modified binary nickel hydroxide hydrate composites for supercapattery application","authors":"M. Pershaanaa , N.K. Farhana , Z.L. Goh , Fathiah Kamarulazam , J. Liew , Shahid Bashir , K. Ramesh , S. Ramesh","doi":"10.1016/j.flatc.2025.100830","DOIUrl":"10.1016/j.flatc.2025.100830","url":null,"abstract":"<div><div>Transition metal hydroxycarbonates are extensively studied in energy storage devices for their unique features: high redox activity, low polarization, better structural stability, and high energy features. Therefore, Cu<img>Ni, Mn<img>Ni, and Co<img>Ni carbonate hydroxide hydrate binary composites were synthesized as battery-grade electrode materials for supercapatteries, aiming to enhance conductivity through synergistic effects and tailored morphologies. The morphological modifications and their influence on the electrochemical performance have been systematically investigated. Copper-based nickel carbonate hydroxide hydrate (Cu@NCHH) composite grown on Ni-foam (NF) among the other pairs yields the highest specific capacity/specific capacitance of 736.50C g<sup>−1</sup>/1486.38 F g<sup>−1</sup> owing to its highly exposed electroactive sites for rapid and better intercalation/de-intercalation of OH<sup>−</sup> ions into the bulk material. Supercapattery fabricated by Cu@NCHH/NF coupled with activated carbon electrode (AC/NF) exhibits outstanding energy storage capacity (42.20 Wh/kg) with a maximum power density of 12.29 kW/kg. The device also displays a significant improvement in cycling performance up to 161 % over 1000 cycles and 97 % over 5000 cycles with almost 100 % coulombic efficiency. Overall, this work provides a facile and efficient method to produce highly performing binder-free binary nickel carbonate hydroxide hydrate composite (M@NCHH/NF) for supercapattery.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100830"},"PeriodicalIF":5.9,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143197770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Engineering two-dimensional supramolecular self-assembly: The role of Cl atoms

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-02-03 DOI: 10.1016/j.flatc.2025.100808

Alisson Ceccatto , Gustavo Ramon Campi , Vanessa Carreño Diaz , Eidsa Brenda da Costa Ferreira , Natalie J. Waleska-Wellnhofer , Eva Marie Freiberger , Simon Jaekel , Christian Papp , Hans-Peter Steinrück , Duncan John Mowbray , Abner de Siervo

On-surface synthesis is a powerful tool for engineering two-dimensional (2D) organic nanostructures by controlling intermolecular interactions between the building blocks. Herein, we explore the role of Cl adatoms in the synthesis and characterization of self-assembled 1,3,5-tris[4-(pyridin)-[1,1’-biphenyl]benzene (TPyPPB) networks on Ag(111), by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). In the absence of Cl, upon deposition at room temperature (RT), TPyPPB molecules form a highly ordered porous supramolecular network with triangular packing, stabilized by hydrogen bonds (N

\dots

H). In the presence of Cl adatoms, sublimated onto the surface using dichloro-(1,10-phenanthrolin)-platin(II) (Cl₂PhPt) a second molecular precursor, we observe a so-called mixed phase or inverted packing, depending on the applied growth procedure. The mixed phase is characterized by a non-periodic structure stabilized by intermolecular interactions between TPyPPB, Cl₂PhPt, and Cl. In contrast, when only Cl adatoms and TPyPPB are present on the Ag(111) surface, a non-porous supramolecular arrangement is obtained, stabilized by C–H

\dots

Cl hydrogen bonds.

{"title":"Engineering two-dimensional supramolecular self-assembly: The role of Cl atoms","authors":"Alisson Ceccatto , Gustavo Ramon Campi , Vanessa Carreño Diaz , Eidsa Brenda da Costa Ferreira , Natalie J. Waleska-Wellnhofer , Eva Marie Freiberger , Simon Jaekel , Christian Papp , Hans-Peter Steinrück , Duncan John Mowbray , Abner de Siervo","doi":"10.1016/j.flatc.2025.100808","DOIUrl":"10.1016/j.flatc.2025.100808","url":null,"abstract":"<div><div>On-surface synthesis is a powerful tool for engineering two-dimensional (2D) organic nanostructures by controlling intermolecular interactions between the building blocks. Herein, we explore the role of Cl adatoms in the synthesis and characterization of self-assembled 1,3,5-tris[4-(pyridin)-[1,1’-biphenyl]benzene (TPyPPB) networks on Ag(111), by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). In the absence of Cl, upon deposition at room temperature (RT), TPyPPB molecules form a highly ordered porous supramolecular network with triangular packing, stabilized by hydrogen bonds (N<span><math><mrow><mo>⋯</mo><mspace></mspace></mrow></math></span>H). In the presence of Cl adatoms, sublimated onto the surface using dichloro-(1,10-phenanthrolin)-platin(II) (Cl<sub>2</sub>PhPt) a second molecular precursor, we observe a so-called mixed phase or inverted packing, depending on the applied growth procedure. The mixed phase is characterized by a non-periodic structure stabilized by intermolecular interactions between TPyPPB, Cl<sub>2</sub>PhPt, and Cl. In contrast, when only Cl adatoms and TPyPPB are present on the Ag(111) surface, a non-porous supramolecular arrangement is obtained, stabilized by C–H<span><math><mrow><mo>⋯</mo><mspace></mspace></mrow></math></span>Cl hydrogen bonds.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100808"},"PeriodicalIF":5.9,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143197771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Designing coin-cell supercapacitors: Combining graphene foam with metal oxide composite electrodes for improved energy storage performance

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-01-31 DOI: 10.1016/j.flatc.2025.100829

Abdulmajid A. Mirghni , Abubakar Dahiru Shuaibu , Yuda Prima Hardianto , Fatima Omar AL-Qwairi , Arshad Hussain , Syed Shaheen Shah , Ncholu Manyala , Md. Abdul Aziz

This study presents the development of a high-performance supercapacitor using a sodium cobalt oxide integrated with graphene foam (NaCoO₂@GF), PVA-KOH membrane, and activated carbon derived from jute sticks (JC). The NaCoO₂@GF/PVA-KOH/JC full-cell device operates effectively across a voltage range of 0 to 1.7 V, demonstrating excellent reversibility and efficient charge storage through diffusion-controlled redox reactions. The device exhibits energy density up to 36.2 Wh kg⁻¹ at 0.5 A g-1 and power densitie up to 7749.2 W kg⁻¹ at 10 A, as confirmed by GCD data, and shows improved electrochemical performance after stability testing, with enhanced ionic conductivity and electrode material activation. Notably, the NaCoO₂@GF/PVA-KOH/JC supercapacitor achieves nearly 100 % Coulombic efficiency over 10,000 cycles, maintaining a retention of about 87 % for most cycles before a slight drop to 83 %. These results demonstrate the superior performance and potential of this composite material for practical energy storage applications.

{"title":"Designing coin-cell supercapacitors: Combining graphene foam with metal oxide composite electrodes for improved energy storage performance","authors":"Abdulmajid A. Mirghni , Abubakar Dahiru Shuaibu , Yuda Prima Hardianto , Fatima Omar AL-Qwairi , Arshad Hussain , Syed Shaheen Shah , Ncholu Manyala , Md. Abdul Aziz","doi":"10.1016/j.flatc.2025.100829","DOIUrl":"10.1016/j.flatc.2025.100829","url":null,"abstract":"<div><div>This study presents the development of a high-performance supercapacitor using a sodium cobalt oxide integrated with graphene foam (NaCoO₂@GF), PVA-KOH membrane, and activated carbon derived from jute sticks (JC). The NaCoO₂@GF/PVA-KOH/JC full-cell device operates effectively across a voltage range of 0 to 1.7 V, demonstrating excellent reversibility and efficient charge storage through diffusion-controlled redox reactions. The device exhibits energy density up to 36.2 Wh kg<sup>−1</sup> at 0.5 A g-1 and power densitie up to 7749.2 W kg<sup>−1</sup> at 10 A, as confirmed by GCD data, and shows improved electrochemical performance after stability testing, with enhanced ionic conductivity and electrode material activation. Notably, the NaCoO₂@GF/PVA-KOH/JC supercapacitor achieves nearly 100 % Coulombic efficiency over 10,000 cycles, maintaining a retention of about 87 % for most cycles before a slight drop to 83 %. These results demonstrate the superior performance and potential of this composite material for practical energy storage applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"50 ","pages":"Article 100829"},"PeriodicalIF":5.9,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring how base model combination affects the results of a “stacking” ensemble machine learning model: An applied study on optimization of heteroatom doped carbon data

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-01-29 DOI: 10.1016/j.flatc.2025.100827

Krittapong Deshsorn , Weekit Sirisaksoontorn , Wisit Hirunpinyopas , Pawin Iamprasertkun

This study explores stack models for electrochemical analysis, incorporating base models (decision trees, linear regression, and k-nearest neighbors) and a meta-model. It reveals that the order of stacking base models affects predictions, often yielding multiple solutions. To address this “uncertainty,” a novel “sorting” technique was applied during meta-model training. This approach significantly reduced model uncertainty, achieving the most accurate predictions and minimizing order deviations (mean absolute error of 37.92388; standard deviation reduced from 6.19 × 10⁻¹⁵ to 0). The refined model was applied to analyze synergies in electrochemical and material properties using feature importance tools, such as SHAP, Feature Permutation Importance (FPI), and Partial Dependence Plots (PDP). Key insights for heteroatom-doped carbon supercapacitors suggest maximizing surface area and nitrogen, sulfur, and boron doping while minimizing current density and acidic electrolyte concentration. Optimal oxygen and phosphorus doping levels were ∼ 15 % and ∼ 2.5 %, respectively. FPI ranked nitrogen > surface area > electrolyte concentration > oxygen > current density > defect ratio > sulfur > boron > phosphorus. PDP revealed that dual heteroatom doping (e.g., nitrogen and oxygen) may outperform doping with five heteroatoms. These findings enhance machine learning's reliability in materials science, offering pathways for efficient synthesis and optimization in two-dimensional materials.

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引用次数: 0

Insights into MXene-based materials for environmental applications: Performance, mechanisms, and future directions

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-01-29 DOI: 10.1016/j.flatc.2025.100825

Mahmoud A. Ahmed , Safwat A. Mahmoud , Ashraf A. Mohamed

MXenes are 2D-layered transition metal carbides, carbonitrides and nitrides that have received considerable attention as promising materials for water purification systems. MXenes' unique layered structure allows for boosted performance, e. g., huge surface area and porosity, enhanced light harvesting, improved charge separation, tunable band gap energies, and the presence of abundant functional groups (i.e., hydroxyl, oxygen, fluorine, etc.) on layers' surfaces and terminals that make them perfect adsorbents and photocatalysts. However, the performance of native materials is hampered owing to hydrogen bonding and Van der Waals force, which cause the layers of pure MXenes to stack. In contrast, MXene-based heterostructures can hinder layer restacking and exhibit enhanced synergistic benefits. This review provides a comprehensive overview of MXene-based composite materials for adsorption and photocatalytic processes. It discusses the synthesis methods of MXenes and their composites, as well as the role of various additives and dopants in enhancing their performance. Furthermore, it explores the underlying mechanisms governing the adsorption and photocatalytic activity of MXene-based composites, including the impact of surface defects, functional groups, band structure engineering, and interfacial charge transfer processes. The review also addresses the challenges and prospects of MXene-based composites, along with potential strategies for improving their performance.

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引用次数: 0

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