Pub Date : 2025-12-09DOI: 10.1016/j.flatc.2025.100984
Yan-Chun Wang , Maheshika Kumarihamy , Hui-Fen Wu
Human neuroendocrine disorders are increasing in prevalence, and epinephrine (EP) serves as an important biomarker for their diagnosis and monitoring. In this study, 2D Trp–W nanosheets were synthesized through a 2D ion–molecule chelation reaction (2D-IMCR) and applied as a dual optical sensing platform for EP detection. The coordination between W and Trp shifted the intrinsic UV fluorescence of tryptophan to a cyan colored visible emission with a significantly higher intensity. The nanosheets exhibited high sensitivity in both fluorometric and colorimetric modes, achieving limits of detection of 0.466 μM and 0.686 μM, respectively, with R2 values of 0.976 and 0.982. These findings demonstrate that the 2D Trp–W nanosheets are an efficient and versatile material for visible-range, dual-mode sensing of epinephrine.
{"title":"Probe ultrasonication assisted synthesis of 2D tryptophan-tungsten metal organic nanosheets through ion-molecule chelation reaction (IMCR) with enhanced fluorescence for dual optical sensing of epinephrine","authors":"Yan-Chun Wang , Maheshika Kumarihamy , Hui-Fen Wu","doi":"10.1016/j.flatc.2025.100984","DOIUrl":"10.1016/j.flatc.2025.100984","url":null,"abstract":"<div><div>Human neuroendocrine disorders are increasing in prevalence, and epinephrine (EP) serves as an important biomarker for their diagnosis and monitoring. In this study, 2D Trp–W nanosheets were synthesized through a 2D ion–molecule chelation reaction (2D-IMCR) and applied as a dual optical sensing platform for EP detection. The coordination between W and Trp shifted the intrinsic UV fluorescence of tryptophan to a cyan colored visible emission with a significantly higher intensity. The nanosheets exhibited high sensitivity in both fluorometric and colorimetric modes, achieving limits of detection of 0.466 μM and 0.686 μM, respectively, with R<sup>2</sup> values of 0.976 and 0.982. These findings demonstrate that the 2D Trp–W nanosheets are an efficient and versatile material for visible-range, dual-mode sensing of epinephrine.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100984"},"PeriodicalIF":6.2,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734370","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}
Pub Date : 2025-12-05DOI: 10.1016/j.flatc.2025.100985
Zhen-Gang Cao , Xing-Yu Wang , Jun-Hui Yuan , Hao Wang , Gen-Ping Wu , Zhi-Hong Liu , Jiafu Wang
Using superatoms as fundamental building blocks to construct novel two-dimensional (2D) materials is undoubtedly a highly promising strategy. In this work, we selected the regular dodecahedral-structured B12 as the basic structural unit and successfully designed and constructed two novel 2D borophenes based on first-principles calculations, named m-B24 and o-B24, respectively. These novel 2D borophenes exhibit remarkable kinetic stability and excellent high-temperature resistance. Both m-B24 and o-B24 are narrow-bandgap indirect semiconductors (1.296 eV and 0.568 eV). Carrier mobility calculations revealed that m-B24 possess outstanding electron and hole mobility (∼1770 cm2V−1 s−1), while the electron mobility of o-B24 can even up to 4.18 × 104 cm2V−1 s−1. Additionally, alkali metals Li/Na/K exhibit low ionic migration barriers on the surfaces of m-B24 and o-B24. These findings not only expand the research scope of two-dimensional borophene but also unveil the immense potential of m-B24 and o-B24 in the field of low-dimensional materials, providing crucial theoretical foundations and practical references for future research and applications.
{"title":"Designing two-dimensional borophene from icosahedral B12 superatoms","authors":"Zhen-Gang Cao , Xing-Yu Wang , Jun-Hui Yuan , Hao Wang , Gen-Ping Wu , Zhi-Hong Liu , Jiafu Wang","doi":"10.1016/j.flatc.2025.100985","DOIUrl":"10.1016/j.flatc.2025.100985","url":null,"abstract":"<div><div>Using superatoms as fundamental building blocks to construct novel two-dimensional (2D) materials is undoubtedly a highly promising strategy. In this work, we selected the regular dodecahedral-structured B<sub>12</sub> as the basic structural unit and successfully designed and constructed two novel 2D borophenes based on first-principles calculations, named <em>m</em>-B<sub>24</sub> and <em>o</em>-B<sub>24</sub>, respectively. These novel 2D borophenes exhibit remarkable kinetic stability and excellent high-temperature resistance. Both <em>m</em>-B<sub>24</sub> and <em>o</em>-B<sub>24</sub> are narrow-bandgap indirect semiconductors (1.296 eV and 0.568 eV). Carrier mobility calculations revealed that <em>m</em>-B<sub>24</sub> possess outstanding electron and hole mobility (∼1770 cm<sup>2</sup>V<sup>−1</sup> s<sup>−1</sup>), while the electron mobility of <em>o</em>-B<sub>24</sub> can even up to 4.18 × 10<sup>4</sup> cm<sup>2</sup>V<sup>−1</sup> s<sup>−1</sup>. Additionally, alkali metals Li/Na/K exhibit low ionic migration barriers on the surfaces of <em>m</em>-B<sub>24</sub> and <em>o</em>-B<sub>24</sub>. These findings not only expand the research scope of two-dimensional borophene but also unveil the immense potential of <em>m</em>-B<sub>24</sub> and <em>o</em>-B<sub>24</sub> in the field of low-dimensional materials, providing crucial theoretical foundations and practical references for future research and applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100985"},"PeriodicalIF":6.2,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734367","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}
MXene is a youngest member of two-dimensional (2D) materials community having controlled structure, unique composition and highly chemical active surface functionality. The layered structure of Mxene possesses high surface area, high porosity, high metallic order conductivity, flexibility, which offers them as a suitable and potential material for detection of environmental gases and analytes. In the present study, Ti₃C₂ MXene nanosheets were synthesized by selectively etching the Al layers from Ti₃AlC₂ MAX phases using hydrofluoric acid (HF) under prolonged stirring. The chemiresistive type sensor configuration was prepared, where synthesized Ti3C2 nanosheets were used as active layer to detect the hydrogen (H2) gas at room temperature. The prepared samples were irradiated by 10 keV N+ ion at three different flounces of 1×1015, 5× 1015 and 1× 1016 ions cm−2 using indigenously developed low energy ion beam table top accelerator. The comparative study have been done to analyse the impact of ion irradiation on skelton, surface changes, and H2 gas sensing of Ti3C2 MXene nanosheets after and before irradiation. It was observed that after irradiation, the sensor exhibited a higher and faster response, with the response magnitude increasing linearly with ion fluence. The maximum response value reached 2.1 for the sensor irradiated at ion fluence of 1×1016 ions cm−2, compared to a value of 1.37 for the pristine Ti3C2 MXene sensor. After irradiation the sensor show a faster response and recovery in comparison to that pristine MXene thin film sensor and optimized response and recovery time performance were found 98 s and 109 s, respectively for the sample irradiated at higher ion fulence (1×1016 ion cm−2). The findings demonstrate that the ion irradiation has a significant effect on the structural and morphological properties of MXene nanosheets, which in turn enhances their gas sensing performance and with increasing ion fluence, the sensor demonstrates good short as well as long term stability, exhibiting a consistent response pattern and faster response as well as recovery in comparison to pristine Ti3C2 MXene sensor. X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) were employed to investigate the surface morphology and microstructural properties of the fabricated MXene samples.
{"title":"Low energy N+ ion beam induced effect on structural and morphological properties of Ti3C2 MXene nanosheet towards enhanced hydrogen gas sensing applications","authors":"Nutan Sharma , Deepak Kumar , Arjun Kumawat , Indra Sulania , Raj Kumar , Satyapal Nehra","doi":"10.1016/j.flatc.2025.100986","DOIUrl":"10.1016/j.flatc.2025.100986","url":null,"abstract":"<div><div>MXene is a youngest member of two-dimensional (2D) materials community having controlled structure, unique composition and highly chemical active surface functionality. The layered structure of Mxene possesses high surface area, high porosity, high metallic order conductivity, flexibility, which offers them as a suitable and potential material for detection of environmental gases and analytes. In the present study, Ti₃C₂ MXene nanosheets were synthesized by selectively etching the Al layers from Ti₃AlC₂ MAX phases using hydrofluoric acid (HF) under prolonged stirring. The chemiresistive type sensor configuration was prepared, where synthesized Ti3C2 nanosheets were used as active layer to detect the hydrogen (H2) gas at room temperature. The prepared samples were irradiated by 10 keV N<sup>+</sup> ion at three different flounces of 1×10<sup>15</sup>, 5× 10<sup>15</sup> and 1× 10<sup>16</sup> ions cm<sup>−2</sup> using indigenously developed low energy ion beam table top accelerator. The comparative study have been done to analyse the impact of ion irradiation on skelton, surface changes, and H2 gas sensing of Ti3C2 MXene nanosheets after and before irradiation. It was observed that after irradiation, the sensor exhibited a higher and faster response, with the response magnitude increasing linearly with ion fluence. The maximum response value reached 2.1 for the sensor irradiated at ion fluence of 1×10<sup>16</sup> ions cm<sup>−2</sup>, compared to a value of 1.37 for the pristine Ti3C2 MXene sensor. After irradiation the sensor show a faster response and recovery in comparison to that pristine MXene thin film sensor and optimized response and recovery time performance were found 98 s and 109 s, respectively for the sample irradiated at higher ion fulence (1×10<sup>16</sup> ion cm<sup>−2</sup>). The findings demonstrate that the ion irradiation has a significant effect on the structural and morphological properties of MXene nanosheets, which in turn enhances their gas sensing performance and with increasing ion fluence, the sensor demonstrates good short as well as long term stability, exhibiting a consistent response pattern and faster response as well as recovery in comparison to pristine Ti3C2 MXene sensor. X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) were employed to investigate the surface morphology and microstructural properties of the fabricated MXene samples.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100986"},"PeriodicalIF":6.2,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683276","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}
Pub Date : 2025-12-02DOI: 10.1016/j.flatc.2025.100977
R.T. Sibatov , D.A. Timkaeva
We study quasi-fractal in-plane heterostructures combining graphene and hexagonal boron nitride (h-BN) triangles with zigzag edges. Unlike previous fractal designs based on porous graphene or carbon nitride monolayers, the proposed heterostructures are dynamically stable, as confirmed by the absence of imaginary modes in their phonon spectra and their stability in molecular dynamics simulations. Using first-principles calculations, we compute the band structures, frequency-dependent optical conductivity, and absorption spectra for three characteristic generations, revealing generation-dependent quantum transport phenomena. Our study compares four configurations, differentiated by their interfacial bonding (C-N vs. C-B) and by which component (graphene or h-BN) maintains a fixed domain size through successive generations. The hierarchical geometry of quasi-fractal monolayers governs their electronic and optical properties, inducing band flattening, and generation-dependent spectral shifts. The quasi-fractal Gr/h-BN heterostructures maintain metallic conductivity across increasing generations, contrasting with typical fractal localization behavior. This anomalous conduction arises from interface-driven charge transfer at Gr/h-BN boundaries, where unequal B/N stoichiometry creates conducting channels that override both h-BN insulation and fractal geometry constraints. These specific transport pathways enable the observed high thermoelectric efficiency () in these systems.
{"title":"Tunable electronic, optical and thermoelectric properties of stable quasi-fractal graphene/h-BN in-plane heterostructures","authors":"R.T. Sibatov , D.A. Timkaeva","doi":"10.1016/j.flatc.2025.100977","DOIUrl":"10.1016/j.flatc.2025.100977","url":null,"abstract":"<div><div>We study quasi-fractal in-plane heterostructures combining graphene and hexagonal boron nitride (h-BN) triangles with zigzag edges. Unlike previous fractal designs based on porous graphene or carbon nitride monolayers, the proposed heterostructures are dynamically stable, as confirmed by the absence of imaginary modes in their phonon spectra and their stability in molecular dynamics simulations. Using first-principles calculations, we compute the band structures, frequency-dependent optical conductivity, and absorption spectra for three characteristic generations, revealing generation-dependent quantum transport phenomena. Our study compares four configurations, differentiated by their interfacial bonding (C-N vs. C-B) and by which component (graphene or h-BN) maintains a fixed domain size through successive generations. The hierarchical geometry of quasi-fractal monolayers governs their electronic and optical properties, inducing band flattening, and generation-dependent spectral shifts. The quasi-fractal Gr/h-BN heterostructures maintain metallic conductivity across increasing generations, contrasting with typical fractal localization behavior. This anomalous conduction arises from interface-driven charge transfer at Gr/h-BN boundaries, where unequal B/N stoichiometry creates conducting channels that override both h-BN insulation and fractal geometry constraints. These specific transport pathways enable the observed high thermoelectric efficiency (<span><math><mrow><mi>Z</mi><mi>T</mi><mo>></mo><mn>0</mn><mo>.</mo><mn>4</mn></mrow></math></span>) in these systems.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100977"},"PeriodicalIF":6.2,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734369","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}
Pub Date : 2025-12-01DOI: 10.1016/j.flatc.2025.100974
Hongyan Ma , Chaowen Xue , Zhongzhou Dong
Lithium-ion battery thermal runaway will seriously endanger both property safety and human life. In order to identify mishaps, We investigated the gas sensitivity of Janus MoSeTe to the gas produced during lithium-ion thermal runaway, and chose low-cost Cu to replace other precious metals, aiming to balance performance with the feasibility of practical application. The Cu cluster-modified MoSeTe monolayer film and its sensing properties for C2H4, CH4 and CO were simulated by first-principles, and its electronic properties and sensing properties were studied. The results show that the introduction of Cu clusters improves the gas adsorption effect, especially the adsorption effect of Cu3-MoSeTe. When the temperature rises to 498 K, the gas molecules can be desorbed from the surface of the material in a very short time. Finally, the effect of strain strength on the adsorption energy of Cu3 structure under strain engineering is studied. The strain of different strength has little effect on the adsorption energy and will not affect the performance of gas sensing. Cu3 modified MoSeTe is considered to be a perfect material for constructing ultra-high sensitivity nanosensors due to its excellent gas sensitivity, surface selectivity and strain selectivity.
{"title":"First-principles study on the gas sensing properties of Cu clusters (Cun, n = 1,2,3,4) modified Janus MoSeTe for lithium ion thermal runaway gas","authors":"Hongyan Ma , Chaowen Xue , Zhongzhou Dong","doi":"10.1016/j.flatc.2025.100974","DOIUrl":"10.1016/j.flatc.2025.100974","url":null,"abstract":"<div><div>Lithium-ion battery thermal runaway will seriously endanger both property safety and human life. In order to identify mishaps, We investigated the gas sensitivity of Janus MoSeTe to the gas produced during lithium-ion thermal runaway, and chose low-cost Cu to replace other precious metals, aiming to balance performance with the feasibility of practical application. The Cu cluster-modified MoSeTe monolayer film and its sensing properties for C<sub>2</sub>H<sub>4</sub>, CH<sub>4</sub> and CO were simulated by first-principles, and its electronic properties and sensing properties were studied. The results show that the introduction of Cu clusters improves the gas adsorption effect, especially the adsorption effect of Cu<sub>3</sub>-MoSeTe. When the temperature rises to 498 K, the gas molecules can be desorbed from the surface of the material in a very short time. Finally, the effect of strain strength on the adsorption energy of Cu<sub>3</sub> structure under strain engineering is studied. The strain of different strength has little effect on the adsorption energy and will not affect the performance of gas sensing. Cu<sub>3</sub> modified MoSeTe is considered to be a perfect material for constructing ultra-high sensitivity nanosensors due to its excellent gas sensitivity, surface selectivity and strain selectivity.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100974"},"PeriodicalIF":6.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683322","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}
Pub Date : 2025-11-24DOI: 10.1016/j.flatc.2025.100973
Naeemah A. Ibrahim , Thaer Abdull-Aali Jwaid , Laith K. Obeas , G. Abdulkareem-Alsultan , N. Asikin-Mijan , Salma Samidin , N. Asma-Samsudin , Maadh Fawzi Nassar , H.V. Lee , Yun Hin Taufiq-Yap , Dai-Viet N. Vo , Kiman Silas
The catalysts that were prepared by combining Cu and Ni into the LDH structure had a higher concentration of both Cu and Ni than the catalysts with lower concentrations of Cu and Ni. Because they have more available surface area, this increases the amount of surface area available for chemical reactions. In addition, based on the catalyst's density of acid and base sites (both of which are important for the deoxygenation of oils), Cu(1%)Ni(6%)LDH@Al was determined to be the most effective catalyst. It has a very large density of acid sites (3.701 mmol/g) and a relatively small density of base sites (0.332 mmol/g). As such, it was able to achieve a hydrocarbon yield of 77.72 %, and an n-C17 yield of 92.55 %. In addition, the authors demonstrated through in-situ XAS measurements made during the course of a reaction, that there were significant changes to the coordination geometry of both Cu and Ni. Specifically, the authors found that the presence of Cu increased the structural integrity of the Ni-containing component of the catalyst. Additionally, DFT studies were conducted to evaluate the likelihood of the simultaneous occurrence of hydrogenation/dehydrogenation processes occurring on the catalyst surface. Through these studies, the authors found that hydroxyl groups on the catalyst surface, generated by the reduction of nickel, facilitate the formation of oxygen vacancies and promote the occurrence of both decarboxylation (DCO2) and decarbonylation (DCO) pathways. The ability of the NiCu hetero-structure to undergo simultaneous hydrogenation/dehydrogenation processes indicates its potential for the creation of green diesel without the need for an external hydrogen source.
{"title":"Mechanistic insights into green diesel production via CuNi LDH@Al Isopropoxide-catalyzed palm oil deoxygenation: A study using in-situ XAS and DFT","authors":"Naeemah A. Ibrahim , Thaer Abdull-Aali Jwaid , Laith K. Obeas , G. Abdulkareem-Alsultan , N. Asikin-Mijan , Salma Samidin , N. Asma-Samsudin , Maadh Fawzi Nassar , H.V. Lee , Yun Hin Taufiq-Yap , Dai-Viet N. Vo , Kiman Silas","doi":"10.1016/j.flatc.2025.100973","DOIUrl":"10.1016/j.flatc.2025.100973","url":null,"abstract":"<div><div>The catalysts that were prepared by combining Cu and Ni into the LDH structure had a higher concentration of both Cu and Ni than the catalysts with lower concentrations of Cu and Ni. Because they have more available surface area, this increases the amount of surface area available for chemical reactions. In addition, based on the catalyst's density of acid and base sites (both of which are important for the deoxygenation of oils), Cu<sub>(</sub><sub>1%</sub><sub>)</sub>Ni<sub>(</sub><sub>6%</sub><sub>)</sub>LDH@Al was determined to be the most effective catalyst. It has a very large density of acid sites (3.701 mmol/g) and a relatively small density of base sites (0.332 mmol/g). As such, it was able to achieve a hydrocarbon yield of 77.72 %, and an n-C<sub>17</sub> yield of 92.55 %. In addition, the authors demonstrated through in-situ XAS measurements made during the course of a reaction, that there were significant changes to the coordination geometry of both Cu and Ni. Specifically, the authors found that the presence of Cu increased the structural integrity of the Ni-containing component of the catalyst. Additionally, DFT studies were conducted to evaluate the likelihood of the simultaneous occurrence of hydrogenation/dehydrogenation processes occurring on the catalyst surface. Through these studies, the authors found that hydroxyl groups on the catalyst surface, generated by the reduction of nickel, facilitate the formation of oxygen vacancies and promote the occurrence of both decarboxylation (DCO<sub>2</sub>) and decarbonylation (DCO) pathways. The ability of the Ni<img>Cu hetero-structure to undergo simultaneous hydrogenation/dehydrogenation processes indicates its potential for the creation of green diesel without the need for an external hydrogen source.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"55 ","pages":"Article 100973"},"PeriodicalIF":6.2,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145645768","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}
This study investigates the hydrothermal synthesis of copper oxide (CuO), molybdenum disulfide (MoS2), and CuO-MoS2 nanoparticles (NPs), assessing their antibacterial activity and biocompatibility. The integration of CuO with MoS₂ NPs was strategically designed to reduce the inherent cytotoxicity of CuO NPs, while simultaneously enhancing the antibacterial efficacy of MoS₂ NPs. Different concentrations of copper nitrate (5, 10, 15, and 20 %wt) were added to MoS₂ NPs via hydrothermal synthesis, and calcined at 350 °C for 2 h without an inert gas atmosphere. As a result, the 20 %-CuO-MoS2 exhibited crystallinity and structural stability. Cytocompatibility assays on macrophage cells were conducted to examine each sample, revealing the non-toxicity with the hormesis effect. 20 %-CuO-MoS₂ NPs at 10 μg/mL demonstrated a nine-fold increase in cell viability compared to CuO NPs. Both AO/EtBr and Hoechst 33342 results confirmed that CuO-MoS2 NPs exhibited better cytocompatibility than CuO NPs. Regarding antibacterial activity, CuO, MoS₂ and CuO-MoS₂ NPs were evaluated against Gram-positive (Bacillus megaterium, Staphylococcus aureus) and Gram-negative (Escherichia coli, Klebsiella pneumoniae) bacterial strains. These antibacterial activity results demonstrated the increased inhibition zones in CuO-MoS₂ NPs, enhancing antibacterial activity via reactive oxygen species production. Therefore, these findings of CuO-MoS₂ NPs demonstrate dual-functional properties, consisting of antibacterial activity and biocompatibility improvement for biomedical applications.
{"title":"Hydrothermal synthesis of CuO-MoS₂ nanoparticles with enhanced biocompatibility and antibacterial activity","authors":"Gopinath Kasi , Sarinthip Thanakkasaranee , Arumugam Ayyakannu , Ramar Dharmaraj , Kittisak Jantanasakulwong , Rangsan Panyathip , Nuttapol Tanadchangsaeng , Pornchai Rachtanapun","doi":"10.1016/j.flatc.2025.100956","DOIUrl":"10.1016/j.flatc.2025.100956","url":null,"abstract":"<div><div>This study investigates the hydrothermal synthesis of copper oxide (CuO), molybdenum disulfide (MoS<sub>2</sub>), and CuO-MoS<sub>2</sub> nanoparticles (NPs), assessing their antibacterial activity and biocompatibility. The integration of CuO with MoS₂ NPs was strategically designed to reduce the inherent cytotoxicity of CuO NPs, while simultaneously enhancing the antibacterial efficacy of MoS₂ NPs. Different concentrations of copper nitrate (5, 10, 15, and 20 %wt) were added to MoS₂ NPs via hydrothermal synthesis, and calcined at 350 °C for 2 h without an inert gas atmosphere. As a result, the 20 %-CuO-MoS<sub>2</sub> exhibited crystallinity and structural stability. Cytocompatibility assays on macrophage cells were conducted to examine each sample, revealing the non-toxicity with the hormesis effect. 20 %-CuO-MoS₂ NPs at 10 μg/mL demonstrated a nine-fold increase in cell viability compared to CuO NPs. Both AO/EtBr and Hoechst 33342 results confirmed that CuO-MoS<sub>2</sub> NPs exhibited better cytocompatibility than CuO NPs. Regarding antibacterial activity, CuO, MoS₂ and CuO-MoS₂ NPs were evaluated against Gram-positive (<em>Bacillus megaterium</em>, <em>Staphylococcus aureus</em>) and Gram-negative (<em>Escherichia coli</em>, <em>Klebsiella pneumoniae</em>) bacterial strains. These antibacterial activity results demonstrated the increased inhibition zones in CuO-MoS₂ NPs, enhancing antibacterial activity via reactive oxygen species production. Therefore, these findings of CuO-MoS₂ NPs demonstrate dual-functional properties, consisting of antibacterial activity and biocompatibility improvement for biomedical applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100956"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413010","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}
Pub Date : 2025-11-01DOI: 10.1016/j.flatc.2025.100975
M.H. Sepahdar , S.M. Masoudpanah , B. Aslibeiki , T. Sarkar
Electrocatalysts and lithium-ion batteries (LIBs) have emerged as leading solutions for renewable energy conversion and storage. Layered multiple hydroxides (LMHs), commonly used as 2D precursors in the synthesis of transition metal phosphides (TMPs) because of their high electrical conductivity, have garnered considerable attention for their potential in various charge storage devices. This is due to their exceptional electrochemical characteristics and cost-effectiveness. A binder-free CoM LMH (M = Mn, Fe, Ni, Cu, Zn) electrode was synthesized on copper foam (CF) substrates using a one-step hydrothermal method and subsequently phosphidated via chemical vapor deposition (CVD). The CoMP/CF electrode showed the lowest overpotentials of 210 mV for the hydrogen evolution reaction (HER) and 355 mV for the oxygen evolution reaction (OER) at a current density of 10 mA cm−2. Additionally, the CoM LMH/CF electrode was tested in a simulated seawater electrolyte, exhibiting low overpotentials of 265 mV for HER and 428 mV for OER at a current density of 10 mA cm−2. The CoMP/CF electrode also showcased a high capacity of 4028 mAh g−1 at 0.05 A g−1, maintaining 81 % capacity retention and a coulombic efficiency of 99.8 % after 1860 cycles.
电催化剂和锂离子电池（LIBs）已成为可再生能源转换和存储的主要解决方案。层状多氢氧化物（LMHs）由于其高导电性，通常被用作合成过渡金属磷化物（TMPs）的二维前体，在各种电荷存储器件中具有很大的潜力，引起了人们的广泛关注。这是由于它们卓越的电化学特性和成本效益。采用一步水热法在泡沫铜（CF）衬底上合成了无粘结剂的CoM LMH （M = Mn, Fe, Ni, Cu, Zn）电极，并通过化学气相沉积（CVD）进行了磷化处理。CoMP/CF电极在电流密度为10 mA cm−2时，析氢反应（HER）的过电位最低为210 mV，析氧反应（OER）的过电位最低为355 mV。此外，CoM LMH/CF电极在模拟海水电解质中进行了测试，在电流密度为10 mA cm - 2时，HER和OER的过电位分别为265 mV和428 mV。CoMP/CF电极在0.05 a g−1下也显示出4028 mAh g−1的高容量，在1860次循环后保持81%的容量保留率和99.8%的库仑效率。
{"title":"Electrocatalytic and Li-ion storage performance of binder-free Co(MnFeNiCuZn)P/copper foam electrodes","authors":"M.H. Sepahdar , S.M. Masoudpanah , B. Aslibeiki , T. Sarkar","doi":"10.1016/j.flatc.2025.100975","DOIUrl":"10.1016/j.flatc.2025.100975","url":null,"abstract":"<div><div>Electrocatalysts and lithium-ion batteries (LIBs) have emerged as leading solutions for renewable energy conversion and storage. Layered multiple hydroxides (LMHs), commonly used as 2D precursors in the synthesis of transition metal phosphides (TMPs) because of their high electrical conductivity, have garnered considerable attention for their potential in various charge storage devices. This is due to their exceptional electrochemical characteristics and cost-effectiveness. A binder-free CoM LMH (M = Mn, Fe, Ni, Cu, Zn) electrode was synthesized on copper foam (CF) substrates using a one-step hydrothermal method and subsequently phosphidated via chemical vapor deposition (CVD). The CoMP/CF electrode showed the lowest overpotentials of 210 mV for the hydrogen evolution reaction (HER) and 355 mV for the oxygen evolution reaction (OER) at a current density of 10 mA cm<sup>−2</sup>. Additionally, the CoM LMH/CF electrode was tested in a simulated seawater electrolyte, exhibiting low overpotentials of 265 mV for HER and 428 mV for OER at a current density of 10 mA cm<sup>−2</sup>. The CoMP/CF electrode also showcased a high capacity of 4028 mAh g<sup>−1</sup> at 0.05 A g<sup>−1</sup>, maintaining 81 % capacity retention and a coulombic efficiency of 99.8 % after 1860 cycles.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100975"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614616","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}
Pub Date : 2025-11-01DOI: 10.1016/j.flatc.2025.100958
Yulan Fang , Hong Luo , Junwei Li , Lujun Chen , Huihui Xiong
The development of highly sensitive and selective gas sensors for identifying two asthma biomarkers (NO and H2S) presents a significant challenge. Herein, the adsorption characteristics and sensing performance of transition metal-decorated ZrS2 (TM@ZrS2, TM = Co, Ni, Pd, Pt, Rh) monolayers toward NO and H2S were systematically investigated using first-principles calculations. The results reveal that TM decoration effectively modulates the electronic structure, introducing impurity states near the Fermi level that significantly narrow the pristine band gap. Both NO and H2S molecules exhibit strong chemisorption on the TM@ZrS2 surfaces, with substantial adsorption energies ranging from −0.87 eV to −2.36 eV, driven by strong orbital hybridization. These interactions are markedly stronger than those observed with common interfering gases (H2O, O2, N2, CO2, CH4), highlighting the exceptional selectivity of TM@ZrS2 monolayers for the target biomarkers. Remarkably, NO adsorption on the metallic Rh@ZrS2 induces a metal-to-semiconductor transition, resulting in a dramatic change in conductivity indicative of ultra-high sensitivity. In contrast, all TM@ZrS2 systems are identified as promising work function-based sensors for H2S, with a significant work function decrease of up to −15.24 % upon adsorption. Comprehensive analysis reveals that Pt@ZrS2 and Pd@ZrS2 possess high sensitivity and excellent reusability for both NO and H2S detection. This study provides a theoretical foundation for the design of high-performance ZrS2-based sensors for non-invasive asthma diagnosis.
{"title":"Modulating the sensing properties of ZrS2 monolayers via transition metal decorations for selective detection of asthma biomarkers: A first-principles investigation","authors":"Yulan Fang , Hong Luo , Junwei Li , Lujun Chen , Huihui Xiong","doi":"10.1016/j.flatc.2025.100958","DOIUrl":"10.1016/j.flatc.2025.100958","url":null,"abstract":"<div><div>The development of highly sensitive and selective gas sensors for identifying two asthma biomarkers (NO and H<sub>2</sub>S) presents a significant challenge. Herein, the adsorption characteristics and sensing performance of transition metal-decorated ZrS<sub>2</sub> (TM@ZrS<sub>2</sub>, TM = Co, Ni, Pd, Pt, Rh) monolayers toward NO and H<sub>2</sub>S were systematically investigated using first-principles calculations. The results reveal that TM decoration effectively modulates the electronic structure, introducing impurity states near the Fermi level that significantly narrow the pristine band gap. Both NO and H<sub>2</sub>S molecules exhibit strong chemisorption on the TM@ZrS<sub>2</sub> surfaces, with substantial adsorption energies ranging from −0.87 eV to −2.36 eV, driven by strong orbital hybridization. These interactions are markedly stronger than those observed with common interfering gases (H<sub>2</sub>O, O<sub>2</sub>, N<sub>2</sub>, CO<sub>2</sub>, CH<sub>4</sub>), highlighting the exceptional selectivity of TM@ZrS<sub>2</sub> monolayers for the target biomarkers. Remarkably, NO adsorption on the metallic Rh@ZrS<sub>2</sub> induces a metal-to-semiconductor transition, resulting in a dramatic change in conductivity indicative of ultra-high sensitivity. In contrast, all TM@ZrS<sub>2</sub> systems are identified as promising work function-based sensors for H<sub>2</sub>S, with a significant work function decrease of up to −15.24 % upon adsorption. Comprehensive analysis reveals that Pt@ZrS<sub>2</sub> and Pd@ZrS<sub>2</sub> possess high sensitivity and excellent reusability for both NO and H<sub>2</sub>S detection. This study provides a theoretical foundation for the design of high-performance ZrS<sub>2</sub>-based sensors for non-invasive asthma diagnosis.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100958"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413012","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}
This work aims to fabricate Carbon Nitride Quantum Dots (CNQDs) reinforced poly (methyl methacrylate) (PMMA) polymer nanocomposites as multifunctional materials for optical, energy harvesting, and tactile sensing applications. CNQDs were synthesized via solution combustion method and incorporated into the PMMA polymer matrix through a solution casting method by varying the CNQDs concentration (0.0–2.0 v/v %). X-ray diffraction (XRD), scanning electron microscopy (SEM) and High Resolution-Transmission Electron Microscopy (HR-TEM), confirmed the phase purity, morphology and uniform dispersion of CNQDs within PMMA matrix. FTIR revealed the interfacial interactions, while Raman confirmed the characteristic molecular vibrations of the polymer nanocomposites. Optical properties were analysed using UV–Visible spectroscopy for the prepared CNQDs and its CNQDs/PMMA polymer nanocomposites. The prepared CNQDs showed maximum absorbance at 218 nm and a band gap of 2.73 eV. An increased trend was observed in the absorbance value as the concentration of CNQDs increased. The prepared polymer nanocomposites showed a direct band gap from 3.7 to 2.4 eV, exhibiting a direct type of semiconducting behaviour. Photoluminescence (PL) spectra exhibited blue emission peaks in the range of 408–421 nm, attributed to surface defect states of CNQDs. The prepared polymer nanocomposites were further employed as electroactive layers in triboelectric nanogenerators (TENGs), where the optimised device (2.0 v/v % CNQDs) achieved an output voltage of 388 V and a current of 72 μA, sufficient to charge commercial capacitors and illuminate 43 LEDs. These results confirm CNQDs/PMMA nanocomposites as potential candidates for future applications in optoelectronics, energy harvesting devices, and wearable electronic skin.
{"title":"Exploring light matter interaction and triboelectric behaviour in carbon nitride quantum dot/ polymethyl methacrylate nanocomposites","authors":"Dhanyashree Hindagudlu Ramesha , Ananya Gurumurthy , Manjushree Nagaraju , Veeranapura Lokesh Yashaswini , Beejaganahalli Kendagannaiah Kendagannaswamy , Kavya Rajanna , Rumana Farheen Sagade Muktar Ahmed , Madhanahalli Ankanathappa Sangamesha , Krishnaveni Sannathammegowda , Unnikrishnan Gopalakrishna Panicker , Beejaganahalli Sangameshwara Madhukar","doi":"10.1016/j.flatc.2025.100976","DOIUrl":"10.1016/j.flatc.2025.100976","url":null,"abstract":"<div><div>This work aims to fabricate Carbon Nitride Quantum Dots (CNQDs) reinforced poly (methyl methacrylate) (PMMA) polymer nanocomposites as multifunctional materials for optical, energy harvesting, and tactile sensing applications. CNQDs were synthesized via solution combustion method and incorporated into the PMMA polymer matrix through a solution casting method by varying the CNQDs concentration (0.0–2.0 <em>v</em>/v %). X-ray diffraction (XRD), scanning electron microscopy (SEM) and High Resolution-Transmission Electron Microscopy (HR-TEM), confirmed the phase purity, morphology and uniform dispersion of CNQDs within PMMA matrix. FTIR revealed the interfacial interactions, while Raman confirmed the characteristic molecular vibrations of the polymer nanocomposites. Optical properties were analysed using UV–Visible spectroscopy for the prepared CNQDs and its CNQDs/PMMA polymer nanocomposites. The prepared CNQDs showed maximum absorbance at 218 nm and a band gap of 2.73 eV. An increased trend was observed in the absorbance value as the concentration of CNQDs increased. The prepared polymer nanocomposites showed a direct band gap from 3.7 to 2.4 eV, exhibiting a direct type of semiconducting behaviour. Photoluminescence (PL) spectra exhibited blue emission peaks in the range of 408–421 nm, attributed to surface defect states of CNQDs. The prepared polymer nanocomposites were further employed as electroactive layers in triboelectric nanogenerators (TENGs), where the optimised device (2.0 <em>v</em>/v % CNQDs) achieved an output voltage of 388 V and a current of 72 μA, sufficient to charge commercial capacitors and illuminate 43 LEDs. These results confirm CNQDs/PMMA nanocomposites as potential candidates for future applications in optoelectronics, energy harvesting devices, and wearable electronic skin.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100976"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614615","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}
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