Bing Wu, Vlastimil Mazánek, Min Li, Martin Veselý, Qiliang Wei, Luxa Jan, Filipa M. Oliveira, Lei Zheng, Heng Li, Vojtech Kundrat, Jakub Zálešák, Jakub Regner, Rui Gusmão, Junjie He, Tomáš Hartman, Saeed Ashtiani, Yulong Ying and Zdenek Sofer
{"title":"Glue-assisted exfoliation of two-dimensional sulfur-rich niobium thiophosphate (Nb4P2S21) for sulfur-equivalent electrode study in lithium storage†","authors":"Bing Wu, Vlastimil Mazánek, Min Li, Martin Veselý, Qiliang Wei, Luxa Jan, Filipa M. Oliveira, Lei Zheng, Heng Li, Vojtech Kundrat, Jakub Zálešák, Jakub Regner, Rui Gusmão, Junjie He, Tomáš Hartman, Saeed Ashtiani, Yulong Ying and Zdenek Sofer","doi":"10.1039/D4NA01060D","DOIUrl":"10.1039/D4NA01060D","url":null,"abstract":"<p >Two-dimensional (2D) layered thiophosphates have garnered attention for advanced battery technology due to their open ionic diffusion channels, high capacity, and unique catalytic properties. However, their potential in energy storage applications remains largely unexplored. In this study, we report a 2D transition metal thiophosphate (Nb<small><sub>4</sub></small>P<small><sub>2</sub></small>S<small><sub>21</sub></small>) with high sulfur content, synthesized <em>via</em> chemical vapor transport (CVT). The bulk material, exhibiting a layered quasi-one-dimensional (quasi-1D) structure, can be exfoliated into high-quality nanoplates using glue-assisted grinding. Density functional theory (DFT) calculations reveal a direct bandgap of 1.64 eV (HSE06 method) for Nb<small><sub>4</sub></small>P<small><sub>2</sub></small>S<small><sub>21</sub></small>, aligning with its near-infrared (NIR) photoluminescence at 755 nm. Despite an initial discharge capacity of 1500 mA h g<small><sup>−1</sup></small>, the material shows low reversible capacity and rapid capacity decay at 0–2.6 V. <em>In situ</em> Raman confirms the formation of polysulfides during cycling. Given its high sulfur content, the material was evaluated at 0.5–2.6 V, 1.0–2.6 V, and 1.5–2.6 V to assess its sulfur-equivalent cathode performance. In carbonate-based electrolytes, electrochemical performance is hindered by polysulfide formation and side reactions, but switching to ether-based electrolytes improves initial reversible capacity and coulombic efficiency due to additional Li<small><sub><em>x</em></sub></small>S conversion above 2.2 V. EDS and TOF-SIMS analyses of cycled electrodes show a significant sulfur loss, worsening the polysulfide shuttle effect and leading to battery failure. Adapting strategies from lithium–sulfur batteries, such as polar host catalysts, could enhance the material's performance.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 7","pages":" 1860-1871"},"PeriodicalIF":4.6,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11804794/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143382720","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}
Mohamed Masri, Girisha K. B., Abdo Hezam, Khaled Alkanad, Talal F. Qahtan, Qasem A. Drmosh, Kalappa Prashantha, Manjunath S. H., Sanaa Mohammed Abdu Kaid, K. Byrappa and Faten Masri
{"title":"Synergetic efficiency: in situ growth of a novel 2D/2D chemically bonded Bi2O3/Cs3Bi2Br9 S-scheme heterostructure for improved photocatalytic performance and stability†","authors":"Mohamed Masri, Girisha K. B., Abdo Hezam, Khaled Alkanad, Talal F. Qahtan, Qasem A. Drmosh, Kalappa Prashantha, Manjunath S. H., Sanaa Mohammed Abdu Kaid, K. Byrappa and Faten Masri","doi":"10.1039/D4NA01047G","DOIUrl":"10.1039/D4NA01047G","url":null,"abstract":"<p >Adverse reactions caused by waterborne contaminants constitute a major hazard to the environment. Controlling the pollutants released into aquatic systems through water degradation has been one of the major concerns of recent research. Bismuth-based perovskites have exhibited outstanding properties in the field of photocatalysis. Nonetheless, many proposed bismuth-based perovskites still suffer from stability problems. The present study investigated a unique bismuth-based metal-co-sharing composite of 2D Bi<small><sub>2</sub></small>O<small><sub>3</sub></small>/Cs<small><sub>3</sub></small>Bi<small><sub>2</sub></small>Br<small><sub>9</sub></small> nanosheet perovskite synthesized <em>via</em> a modified anti-solvent reprecipitation method. Several samples were prepared using different ratios of Bi<small><sub>2</sub></small>O<small><sub>3</sub></small> and Cs<small><sub>3</sub></small>Bi<small><sub>2</sub></small>Br<small><sub>9</sub></small>. The optimal composite sample was found to be BO/CBB 28%, where 2D stacked nanosheets of Cs<small><sub>3</sub></small>Bi<small><sub>2</sub></small>Br<small><sub>9</sub></small> showed remarkable interaction with Bi<small><sub>2</sub></small>O<small><sub>3</sub></small> due to its optimal Bi co-sharing, as displayed in the FE-SEM and HRTEM images. However, further increasing the percentage led to greater agglomeration, hindering the photocatalytic degradation efficiency. The average size and optical band gap energy of the optimal sample were 42.5 nm and 2.46 eV, respectively. The photocatalytic degradation of MB using the optimal sample reached ∼92% within 60 min with a catalyst dosage of 10 mg L<small><sup>−1</sup></small>. With an increase in catalyst concentration to 40 mg L<small><sup>−1</sup></small>, MB removal reached almost ∼96% within 60 min under visible light owing to the enhanced stability, facilitating efficient charge separation. This paper presents an improved composite with optimal ratios of 2D Bi<small><sub>2</sub></small>O<small><sub>3</sub></small>/Cs<small><sub>3</sub></small>Bi<small><sub>2</sub></small>Br<small><sub>9</sub></small> nanosheets that demonstrated good stability and enhanced photocatalytic performance in comparison with pure Bi<small><sub>2</sub></small>O<small><sub>3</sub></small> and Cs<small><sub>3</sub></small>Bi<small><sub>2</sub></small>Br<small><sub>9</sub></small>. This study also sheds light on the significance of metal co-sharing and the pivotal role it plays in enhancing the S-scheme charge transfer and the internal electric field between the two components.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 4","pages":" 1030-1047"},"PeriodicalIF":4.6,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11775581/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066456","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}
Junjie Hao, Peizhao Liu, Ziming Zhou, Haochen Liu, Wei Chen, Peter Müller-Buschbaum, Jiaji Cheng, Kai Wang, Xiao Wei Sun, Jean-Pierre Delville and Marie-Helene Delville
{"title":"Shape-tailored semiconductor dot-in-rods: optimizing CdS-shell growth for enhanced chiroptical properties via the rationalization of the role of temperature and time†","authors":"Junjie Hao, Peizhao Liu, Ziming Zhou, Haochen Liu, Wei Chen, Peter Müller-Buschbaum, Jiaji Cheng, Kai Wang, Xiao Wei Sun, Jean-Pierre Delville and Marie-Helene Delville","doi":"10.1039/D4NA01003E","DOIUrl":"10.1039/D4NA01003E","url":null,"abstract":"<p >Colloidal chemistry provides an assortment of synthetic tools for tuning the shape of semiconductor nanocrystals. To fully exploit the shape- and structure-dependent properties of semiconductor nanorods, high-precision control on growth and design is essential. However, achieving this precision is highly challenging due to the high temperatures (>350 °C) and short reaction times (<8 minutes) often required for these reactions. In this study, we performed the first investigation on the impact of temperature and time on the CdS-shell growth of CdSe/CdS quantum rods. Our findings demonstrate that temperature plays a pivotal role in achieving ultra-thin shell dot-in-rods, which are crucial for enhancing chiroptical properties. The two-step process proposed here explains the shell growth of CdSe/CdS dot-in-rods (DRs). It involves finely-tuned isotropic shell growth in the first stage, followed by anisotropic length growth along the [0001] rod axis in the second step. This approach has two advantages: a systematic control of the shell thickness for different aspect ratios (ARs) and batch monodispersity. These DRs, with an ultra-thin CdS shell and a high AR, after modification with <small>L</small>/<small>D</small> cysteine molecules, exhibit significant enhancement of their ligand-induced chirality, with circular dichroism (CD) <em>g</em>-factor values as high as 10<small><sup>−3</sup></small>.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1650-1662"},"PeriodicalIF":4.6,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11777706/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066178","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}
Yuta Goto, Toru Utsunomiya, Takashi Ichii and Hiroyuki Sugimura
{"title":"Chemical etching of silicon assisted by graphene oxide under negative electric bias†","authors":"Yuta Goto, Toru Utsunomiya, Takashi Ichii and Hiroyuki Sugimura","doi":"10.1039/D4NA00825A","DOIUrl":"10.1039/D4NA00825A","url":null,"abstract":"<p >Chemical etching of silicon assisted by graphene oxide (GO) has been attracting attention as a new method to fabricate micro- or nano-structures. GO promotes the reduction of an oxidant, and holes are injected into silicon, resulting in the preferential dissolution of the silicon under GO. In the conventional etching method with GO, the selectivity of the etching was low due to the stain etching caused by nitric acid. We developed an etching method that applies a negative bias to the p-type silicon substrate. The silicon under GO was more selectively etched in an etchant consisting of hydrofluoric acid and nitric acid than the silicon uncovered by GO. We assume that this is attributed to the difference in hole concentration in the silicon under GO and in the bare silicon. In addition, the in-plane diffusion of holes in silicon is suppressed by this method, resulting in the formation of highly anisotropic pores. From this study, we found that GO-assisted silicon etching occurs with a similar principle to metal-assisted chemical etching. The negative-bias etching with GO has the potential to be a simple and highly anisotropic microfabrication method.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1596-1602"},"PeriodicalIF":4.6,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11774252/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066704","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}
Jiajia Zheng, Weili Peng, Houhui Shi, Jiaqi Zhang, Qinglian Hu and Jun Chen
{"title":"Emerging engineered nanozymes: current status and future perspectives in cancer treatments","authors":"Jiajia Zheng, Weili Peng, Houhui Shi, Jiaqi Zhang, Qinglian Hu and Jun Chen","doi":"10.1039/D4NA00924J","DOIUrl":"10.1039/D4NA00924J","url":null,"abstract":"<p >Composite nanozymes are composed of enzymes with similar or different catalytic capabilities and have higher catalytic activity than a single enzyme. In recent years, composite nanozymes have emerged as novel nanomaterial platforms for multiple applications in various research fields, where they are used to produce oxygen, consume glutathione, or produce toxic reactive oxygen species (ROS) for cancer therapy. The therapeutic approach using composite nanozymes is known as chemo-dynamic therapy (CDT). Some composite nanozymes also show special photothermal conversion effects, enabling them to be combined with pioneering cancer treatments, such as photodynamic therapy (PDT), photothermal therapy (PTT) and sonodynamic therapy (SDT), and enhance the anti-cancer effects. In this study, the classification and catalytic performances of composite nanozymes are reviewed, along with their advantages and synthesis methods. Furthermore, the applications of composite nanozymes in the treatment of cancers are emphasized, and the prospective challenges in the future are discussed.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 5","pages":" 1226-1242"},"PeriodicalIF":4.6,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11774201/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143066705","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}
Komal Farooq, Maida Murtaza, Laraib Kiran, Kashf Farooq, Waqas Ali Shah and Amir Waseem
{"title":"Construction of an MXene/MIL Fe-53/ZIF-67 derived bifunctional electrocatalyst for efficient overall water splitting†","authors":"Komal Farooq, Maida Murtaza, Laraib Kiran, Kashf Farooq, Waqas Ali Shah and Amir Waseem","doi":"10.1039/D4NA00936C","DOIUrl":"10.1039/D4NA00936C","url":null,"abstract":"<p >Research on water splitting is paramount for developing low-carbon alternative energy sources. Nevertheless, creating an efficient, cost-effective, and bifunctional electrocatalyst that facilitates both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) remains an elusive goal. In this work, we report a novel hybrid nanostructured electrocatalyst by combining and pyrolyzing MXene, MIL-53(Fe), and ZIF-67. Comprehensive characterization of the synthesized nanocomposites was conducted using XRD, FESEM, TEM, EDX, and XPS. Notably, among the synthesized electrocatalysts, M3 demonstrated exceptional performance, achieving 10 mA cm<small><sup>−2</sup></small> at 237 mV and 50 mA cm<small><sup>−2</sup></small> at 292 mV for the OER, and 10 mA cm<small><sup>−2</sup></small> at 307 mV and 50 mA cm<small><sup>−2</sup></small> at 481 mV for the HER. The Tafel slope values were 64 mV dec<small><sup>−1</sup></small> for the OER and 185 mV dec<small><sup>−1</sup></small> for the HER at 10 mA cm<small><sup>−2</sup></small>. Moreover, M3 exhibited excellent stability, with negligible current density loss over 12 hours, and showed good mass activity of 57.5 and 54.6 A g<small><sup>−1</sup></small> and TOFs of 1.56 and 2.97 s<small><sup>−1</sup></small>, for the OER and HER, respectively. This study highlights the efficacy of integrating MXene (Ti<small><sub>3</sub></small>C<small><sub>2</sub></small>T<small><sub><em>x</em></sub></small>) with MIL-53(Fe) and ZIF-67, creating a potent bifunctional OER and HER electrocatalyst. The synergistic combination enhances electrical conductivity, active site availability, and structural stability, yielding superior performance. The findings of this investigation underscore the importance of strategic design and optimization of bifunctional electrocatalysts for energy conversion applications.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1561-1571"},"PeriodicalIF":4.6,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11770592/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143059607","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}
{"title":"A multistimuli responsive and self-healing Zn(ii)–inosine supramolecular metal–organic gel: phase selective gelation and application as a light-responsive Schottky barrier diode†","authors":"Surbhi Singh, Atul Kumar Sharma, Kunal Rohilla, Nisha Verma and Bhagwati Sharma","doi":"10.1039/D4NA01079E","DOIUrl":"10.1039/D4NA01079E","url":null,"abstract":"<p >Utilization of naturally available biomolecules such as nucleosides with several coordination sites as organic counterparts for the synthesis of multifunctional self-assembled metal–organic gels is important, considering the time and efforts required for the design of organic ligands that can coordinate to metal ions, forming a gel. In the present work, inosine, a simple nucleoside has been utilized as a ligand for the generation of a supramolecular metallo-hydrogel through coordination with Zn<small><sup>2+</sup></small> ions in the presence of NaOH. Several spectroscopic, microscopic and rheological investigations have been performed to characterize the formed gel. The obtained metallo-hydrogel is transparent, and the transparency can be tuned depending on the amount of NaOH used. The Zn–inosine metal–organic gel exhibits several functional properties such as self-healing, stimuli responsiveness, thixotropy, and injectability. Furthermore, the freeze-dried Zn–inosine xerogel exhibited selective gelation of water, which has been utilized to separate water from mixtures that include organic solvents (or oils) and water. The semiconducting characteristics of the Zn–inosine metallogel have been used for device fabrication based on the Schottky diode interface between a semiconductor and metal. The fabricated device was found to be photo-responsive in nature and exhibited better device parameters when illuminated with light. The present results are anticipated to lead to the development of newer soft materials constructed using simple biomolecules for environmental and electronic applications.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 7","pages":" 1923-1936"},"PeriodicalIF":4.6,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11808567/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143399492","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}
Neela Mohan Chidambaram, Palanisamy Rajkumar, P. Arul Prakash, G. M. Rathika, K. Prabhu, Senthil Muthu Kumar Thiagamani, M. Khalid Hossain, Manikandan Ayyar, Lalitha Gnanasekaran and Jinho Kim
{"title":"Fabrication of water-dispersible dye/polymer matrix-stabilized β-FeOOH (Rh-B/F127@β-FeOOH) nanoparticles: synthesis, characterization and therapeutic applications","authors":"Neela Mohan Chidambaram, Palanisamy Rajkumar, P. Arul Prakash, G. M. Rathika, K. Prabhu, Senthil Muthu Kumar Thiagamani, M. Khalid Hossain, Manikandan Ayyar, Lalitha Gnanasekaran and Jinho Kim","doi":"10.1039/D4NA00595C","DOIUrl":"10.1039/D4NA00595C","url":null,"abstract":"<p >In this study, dye/polymer matrix-stabilized β-FeOOH nanomaterials were fabricated for therapeutic applications. Rh-B/F127@β-FeOOH nanomaterials were synthesized using two different methods: co-precipitation (CoP) and hydrothermal (HT) methods. The as-synthesized nanoparticles were characterized using various spectroscopic techniques, including FT-IR, UV-Vis, PL, XRD, HR-TEM, and XPS analysis. The functional groups and optical properties were confirmed by FT-IR spectroscopy, UV-Vis and fluorescence spectroscopy. The Rh-B/F127@β-FeOOH nanomaterials exhibited both rod-like and sphere-like morphology, as confirmed by HR-TEM analysis. Unlike the nanorods, the nanospheres produced multi-colored emissions at 407, 446, 482 and 520 nm. The oxidative states and elements were confirmed by XPS spectroscopy. MTT assays were used to analyze the cytotoxicity of the nanospheres against A549 cells. The reactive oxygen species (ROS) generation and apoptotic cell death caused by the β-FeOOH nanospheres were evaluated by flow cytometry. Cell cycle analysis indicated that the treatment of nanospheres-induced S-phase cell cycle arrest in A549 cells. The synthesized nanospheres induced late-stage apoptosis in the A549 cell line, with a cell death rate of up to 30.37% at the IC<small><sub>50</sub></small> concentration. Additionally, the antioxidant activities of the synthesized nanorods showed a high scavenging activity against free radicals, as examined by different assays such as such as DPPH, RP, and FRAP. The above results suggest that the synthesized nanorods and nanospheres are promising and efficient material for therapeutic applications.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1524-1542"},"PeriodicalIF":4.6,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11758863/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143047258","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}
M. J. Hosen, M. Tarek, M. D. I. Bhuyan, M. A. Basith and I. M. Syed
{"title":"Insights into the electronic structure, optical properties, and photocatalytic potential of Gd2CoCrO6 perovskite: a comprehensive theoretical and experimental investigation†","authors":"M. J. Hosen, M. Tarek, M. D. I. Bhuyan, M. A. Basith and I. M. Syed","doi":"10.1039/D4NA01033G","DOIUrl":"10.1039/D4NA01033G","url":null,"abstract":"<p >In this study, we present a comprehensive theoretical and experimental investigation into the electronic structure, optical properties, and photocatalytic potential of Gd<small><sub>2</sub></small>CoCrO<small><sub>6</sub></small> (GCCO) double perovskite. Using first-principles calculations with the generalized-gradient-approximation plus Hubbard <em>U</em> (GGA + <em>U</em>) method, we explored the effects of Coulomb interactions on the electronic properties. Our calculations revealed that GCCO exhibits a half-metallic nature, displaying metallic behavior for up-spin and semiconducting behavior for down-spin states. The optimized <em>U</em><small><sub>eff</sub></small> value of 4.2 eV accurately reproduces the direct bandgap of 2.25 eV, which aligns closely with experimental results obtained through UV-visible absorption spectroscopy and photoluminescence analysis. Additionally, time-resolved photoluminescence (TRPL) measurements indicate a mean charge carrier lifetime of 2.37 ns, suggesting effective charge separation. Mott–Schottky analysis and valence band X-ray photoelectron spectroscopy (XPS) confirm the n-type semiconducting nature of GCCO with favorable band edge positions for redox reactions. The combination of theoretical insights and experimental characterization indicates that GCCO holds significant promise as a photocatalyst for applications in renewable energy production and environmental remediation, particularly in solar-driven water splitting and pollutant degradation. Our study provides crucial insights into the electronic structure and optical properties of double perovskites like GCCO, highlighting their suitability for photocatalytic applications. Furthermore, the research paves the way for future work in the compositional engineering and defect modulation of double perovskites to optimize their photocatalytic efficiency.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1742-1753"},"PeriodicalIF":4.6,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11791655/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143256128","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}
Gregory P. Lopinski, Oltion Kodra, Filip Kunc, David C. Kennedy, Martin Couillard and Linda J. Johnston
{"title":"X-ray photoelectron spectroscopy of metal oxide nanoparticles: chemical composition, oxidation state and functional group content†","authors":"Gregory P. Lopinski, Oltion Kodra, Filip Kunc, David C. Kennedy, Martin Couillard and Linda J. Johnston","doi":"10.1039/D4NA00943F","DOIUrl":"10.1039/D4NA00943F","url":null,"abstract":"<p >Surface chemistry drives the interaction of a material with its surroundings, therefore it can be used to understand and influence the fate of nanomaterials when used as functional materials or when released to the environment. Here we have used X-ray photoelectron spectroscopy (XPS) to probe the chemical composition, oxidation state and functional group content of the near surface region of four families of commercially available metal oxide nanoparticles from several different suppliers. The analyzed nanoparticles varied in size and surface functionalization (unfunctionalized <em>vs.</em> amine, stearic acid, and PVP-coated samples). Survey and high-resolution scans have provided information on the atomic composition of the samples, including an estimate of the stoichiometry of the metal oxide, the presence of functional groups and the identification and quantification of any impurities on the surface. The presence of significant impurities for some samples and the variation from the expected oxidation state in other cases are relevant to studies of the environmental and health impacts of these materials as well as their use in applications. The functional group content measured by XPS shows a similar trend to earlier quantitative nuclear magnetic resonance (qNMR) data for aminated samples. This indicates that XPS can be a complementary probe of surface functional group content in cases where the functional group contains a unique element not otherwise present on the nanoparticles.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 6","pages":" 1671-1685"},"PeriodicalIF":4.6,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11780326/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143080583","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}