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Direct laser writing of MnOx decorated laser-induced graphene on paper for sustainable microsupercapacitor fabrication 在纸上直接激光写入氧化锰装饰的激光诱导石墨烯,实现可持续微型超级电容器制造
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-16 DOI: 10.1016/j.flatc.2024.100672
Rodrigo Abreu , Maykel dos Santos Klem , Tomás Pinheiro , Joana Vaz Pinto , Neri Alves , Rodrigo Martins , Emanuel Carlos , João Coelho
{"title":"Direct laser writing of MnOx decorated laser-induced graphene on paper for sustainable microsupercapacitor fabrication","authors":"Rodrigo Abreu ,&nbsp;Maykel dos Santos Klem ,&nbsp;Tomás Pinheiro ,&nbsp;Joana Vaz Pinto ,&nbsp;Neri Alves ,&nbsp;Rodrigo Martins ,&nbsp;Emanuel Carlos ,&nbsp;João Coelho","doi":"10.1016/j.flatc.2024.100672","DOIUrl":"10.1016/j.flatc.2024.100672","url":null,"abstract":"<div><p>Laser-induced graphene (LIG) on paper is a popular choice for fabricating flexible micro-supercapacitors (MSCs) as it is a simple and sustainable process. However, carbon-based MSC electrodes have limited energy densities. To address this challenge, this study presents a highly reproducible and cost-effective method for decorating manganese oxide (MnO<sub>x</sub>) on interdigital LIG MSC electrodes, fabricated via a single-step direct laser writing (DLW) process on paper substrates. The paper fibers embedded with MnO<sub>x</sub> precursors are transformed into graphene through laser processing while reducing the salt, resulting in the formation of MnO<sub>x</sub>-LIG. The resulting MnO<sub>x</sub>-LIG-MSC exhibits a specific capacitance of 12.30 mF cm<sup>−2</sup> (0.05 mA cm<sup>−2</sup>) with a 60 % retention at 1000 bending cycles (30°), due to the pseudocapacitive contribution of MnO<sub>x</sub>. Furthermore, the devices exhibit high electrochemical stability, retaining 190 % of the initial specific capacitance after 10,000 cycles, and a high energy density of 2.6 μWh cm<sup>−2</sup> (at a power of 0.109 mW cm<sup>−2</sup>). The study demonstrates that manganese oxide-based LIG-MSCs have the potential to be used as energy storage devices for portable, low-cost, and flexible paper electronics.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100672"},"PeriodicalIF":6.2,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2452262724000667/pdfft?md5=16cdfd673b7374620198963808407249&pid=1-s2.0-S2452262724000667-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141060753","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
Chlorinated graphene and graphene nanoribbons: A density functional theory study 氯化石墨烯和石墨烯纳米带:密度泛函理论研究
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-14 DOI: 10.1016/j.flatc.2024.100670
Florentino López-Urías , Juan L. Fajardo-Díaz , Verónica L. Medina-Llamas , Armando D. Martínez-Iniesta , Morinobu Endo , Emilio Muñoz-Sandoval
{"title":"Chlorinated graphene and graphene nanoribbons: A density functional theory study","authors":"Florentino López-Urías ,&nbsp;Juan L. Fajardo-Díaz ,&nbsp;Verónica L. Medina-Llamas ,&nbsp;Armando D. Martínez-Iniesta ,&nbsp;Morinobu Endo ,&nbsp;Emilio Muñoz-Sandoval","doi":"10.1016/j.flatc.2024.100670","DOIUrl":"10.1016/j.flatc.2024.100670","url":null,"abstract":"<div><p>Functional groups based on halides, such as fluorine (F), chlorine (Cl), bromine (Br), and iodine (I), are crucial for understanding the chemical reactivity of graphitic nanomaterials. Except for I, halogens exhibit electronegativity greater than carbon (C); therefore, charge transfer from carbon to halogen is expected. First-principles density functional theory calculations were performed to determine the role of different Cl-functional groups (methyl-trichloride, ethyl-trichloride, chloride, acyl-chloride, vinyl-chloride, acetyl hypochlorite, chloramines, sulfonyl chloride, and more) on the electronic properties of graphene and graphene nanoribbons (GNRs). GNRs with zigzag edges (ZGNRs) and armchair edges (AGNRs) were studied. We analyzed the optimized structures, band structure, density of states, cohesive energy, and band gap. Our results revealed that the based-Cl functional groups can provide an alternative route to activate the borders and surfaces of sp<sup>2</sup> carbon materials. Methyl-trichloride and acyl-chloride can induce magnetism and metallicity. Chloride and acyl-chloride are the most energetically stable functional groups attached to the edges. Surprisingly, methyl-trichloride or acyl-chloride functionalizing the surface of the AGNRs showed a direct (indirect) band gap for states with spin-up (spin-down). The results of aromatic (chlorobenzene- and dichlorobenzene-like structures) functionalization considering F, Cl, Br, and I are also shown. Finally, –F<sub>2</sub> and –ClF functionalization cases are discussed.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100670"},"PeriodicalIF":6.2,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141041715","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
Graphene quantum dots (GQDs)-modified screen-printed electrode for the determination of cannabidiol (CBD) in hemp seeds flour 石墨烯量子点 (GQDs) 改性丝网印刷电极用于测定大麻籽粉中的大麻二酚 (CBD)
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-13 DOI: 10.1016/j.flatc.2024.100673
Khouloud Abid , Angelo Ferlazzo , Giovanni Neri
{"title":"Graphene quantum dots (GQDs)-modified screen-printed electrode for the determination of cannabidiol (CBD) in hemp seeds flour","authors":"Khouloud Abid ,&nbsp;Angelo Ferlazzo ,&nbsp;Giovanni Neri","doi":"10.1016/j.flatc.2024.100673","DOIUrl":"10.1016/j.flatc.2024.100673","url":null,"abstract":"<div><p>In this work, the development of a graphene quantum dots (GQDs)-modified screen-printed carbon (SPCE) electrode for the determination of cannabidiol (CBD), a cannabinoid present in the Cannabis L. Sativa (hemp) plant, is reported. This cannabinoid is non-intoxicating and non-psychoactive, thus CBD-containing drugs as well as CBD-containing foods, are now on the market in many countries due to their health-beneficial effects and pharmacological activities. Because of the increasing interest in analyzing CBD in these real samples, we analyzed here a sample of hemp flour that was used for testing the developed CBD electrochemical sensor. Preliminary work devoted to optimizing the analysis conditions, allowed to development of a GQDs-modified electrode with promising characteristics for the simple screening of CBD. The electroanalytical tests for CBD detection showed a sensitivity of 0.98 μAμM<sup>-1</sup> cm<sup>−2</sup>, which is increased by 2-folder compared to bare SPCE, and a limit of detection (LOD) equal to 0.277 μM. The developed GQDs/SPCE sensor and the analysis procedure were then applied for the CBD analysis in a hemp seeds flour sample. Based on the results obtained, the advantages/disadvantages evidenced by operating with the developed electrochemical sensor in the analysis of CBD in real samples were discussed.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100673"},"PeriodicalIF":6.2,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141054379","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
Large control of friction and wear enabled by Ti3AlC2 MAX- multilayer graphene-polydopamine composites 通过 Ti3AlC2 MAX 多层石墨烯-多巴胺复合材料实现摩擦和磨损的大幅控制
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-10 DOI: 10.1016/j.flatc.2024.100671
Pankaj Bharti , Shubham Jaiswal , Rajeev Kumar , Pradip Kumar , Muhamed Shafeeq M , Anup Kumar Khare , Chetna Dhand , Neeraj Dwivedi
{"title":"Large control of friction and wear enabled by Ti3AlC2 MAX- multilayer graphene-polydopamine composites","authors":"Pankaj Bharti ,&nbsp;Shubham Jaiswal ,&nbsp;Rajeev Kumar ,&nbsp;Pradip Kumar ,&nbsp;Muhamed Shafeeq M ,&nbsp;Anup Kumar Khare ,&nbsp;Chetna Dhand ,&nbsp;Neeraj Dwivedi","doi":"10.1016/j.flatc.2024.100671","DOIUrl":"https://doi.org/10.1016/j.flatc.2024.100671","url":null,"abstract":"<div><p>Friction and wear pose significant challenges in moving mechanical systems. Despite efforts to address these challenges with MAX phase materials, many of these materials lack effective lubrication and wear protection under ambient conditions. Here, we developed a composite coating that addresses these challenges through a combination of materials chemistry and engineering. This coating, composed of polydopamine-functionalized Ti<sub>3</sub>AlC<sub>2</sub> MAX (F-MAX) and multilayer graphene (MGr), known as F-MAX + MGr, demonstrated exceptional tribological performance. At its best composition, the F-MAX + MGr composite coating reduced the friction at sliding interfaces by 82 % and decreased the wear on the counterpart ball by 99.76 % compared to bare surfaces. Importantly, its tribological performance surpassed that of pristine MAX, F-MAX, and MGr coatings. This improvement is attributed to the synergistic lubricating effect of the inherently low shear strengths of Ti<sub>3</sub>AlC<sub>2</sub> MAX and MGr, the chemical properties of PDA, and the occurrence of incommensurate contacts at the interfaces. This work pioneers slippery and wear-resistant surfaces via a combination of chemical modification and materials engineering, with implications for both fundamental science and technological advancement.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100671"},"PeriodicalIF":6.2,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140951100","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
First principles study of transition metal (TM = Sc, Ti, V, Cr, Mn) doped penta-BAs5 monolayer for adsorption of CO, NH3, NO, SO2 过渡金属(TM = Sc、Ti、V、Cr、Mn)掺杂五-BAs5 单层吸附 CO、NH3、NO、SO2 的第一性原理研究
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-09 DOI: 10.1016/j.flatc.2024.100668
Kexin Wang , Yanqing Shen , Lingling Lv , Xianghui Meng , Xiangqian Jiang , Long Pang , Peng E , Zhongxiang Zhou
{"title":"First principles study of transition metal (TM = Sc, Ti, V, Cr, Mn) doped penta-BAs5 monolayer for adsorption of CO, NH3, NO, SO2","authors":"Kexin Wang ,&nbsp;Yanqing Shen ,&nbsp;Lingling Lv ,&nbsp;Xianghui Meng ,&nbsp;Xiangqian Jiang ,&nbsp;Long Pang ,&nbsp;Peng E ,&nbsp;Zhongxiang Zhou","doi":"10.1016/j.flatc.2024.100668","DOIUrl":"https://doi.org/10.1016/j.flatc.2024.100668","url":null,"abstract":"<div><p>In this paper, the adsorption capacity of intrinsic penta-BAs<sub>5</sub> monolayer on CO, NH<sub>3</sub>, NO, SO<sub>2</sub> and the effect of transition metal doping on gas sensing characteristics are systematically studied by first-principles calculations. Adsorption energy, recovery time, band structure, charge transfer and density of states (DOS) are investigated. The electronic properties and sensing mechanisms under different adsorption systems are expounded. The results showed that the intrinsic penta-BAs<sub>5</sub> monolayer had the strongest adsorption capacity for NO and weak sensitivity to CO, NH<sub>3</sub> and SO<sub>2</sub>, which shown strong gas selectivity. Moreover, the recovery time of NO at 380 k was 3.93 s, which was more inclined to be desorption at high temperature. In addition, Sc and Ti doping could selectively improve the adsorption capacity of the intrinsic penta-BAs<sub>5</sub> monolayer. The charge transfer of SO<sub>2</sub>-Sc-BAs<sub>5</sub> and CO-Ti-BAs<sub>5</sub> were increased by 6.78 and 10.33 times compared with those before doping. The band structure and DOS show that Ti atom and CO have orbital hybridization, which improved the interaction between gases and penta-BAs<sub>5</sub>. Therefore, intrinsic penta-BAs<sub>5</sub>, Sc-BAs<sub>5</sub> and Ti-BAs<sub>5</sub> are suitable for gas sensing and toxic gas monitoring, and have broad application prospects.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100668"},"PeriodicalIF":6.2,"publicationDate":"2024-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140910050","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
Shining bright: B@S-codoped graphitic carbon nitride nanorods illuminate enhanced catalytic C-N bond formation under visible-light 熠熠生辉:掺杂 B@S 的氮化石墨碳纳米棒在可见光下催化 C-N 键形成的能力得到增强
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-07 DOI: 10.1016/j.flatc.2024.100669
Neha Chaurasia , Rajesh K. Yadav , Shaifali Mishra , Rehana Shahin , Satyam Singh , Navneet K. Gupta , S.K. Pandey , Mantesh Kumari Yadav , Jin-OoK Baeg , Ahmad J. Obaidullah , Krishna Kumar Yadav
{"title":"Shining bright: B@S-codoped graphitic carbon nitride nanorods illuminate enhanced catalytic C-N bond formation under visible-light","authors":"Neha Chaurasia ,&nbsp;Rajesh K. Yadav ,&nbsp;Shaifali Mishra ,&nbsp;Rehana Shahin ,&nbsp;Satyam Singh ,&nbsp;Navneet K. Gupta ,&nbsp;S.K. Pandey ,&nbsp;Mantesh Kumari Yadav ,&nbsp;Jin-OoK Baeg ,&nbsp;Ahmad J. Obaidullah ,&nbsp;Krishna Kumar Yadav","doi":"10.1016/j.flatc.2024.100669","DOIUrl":"https://doi.org/10.1016/j.flatc.2024.100669","url":null,"abstract":"<div><p>Graphitic carbon nitride as a photocatalyst seeking attention nowadays, due to its thermal stability, band structure, and chemical properties. Herein, we reported a boron sulfur co-doped graphitic carbon nitride (B@S-g-C<sub>3</sub>N<sub>4</sub>) photocatalyst synthesized by a one-pot thermal polycondensation mechanism. However, it was observed that due to co-doping in native carbon nitride structure the photocatalytic behavior and the band structure enhanced which was capable of fascinating the demand of organic transformations i.e. photocatalytic and charge transfer capability. The synthesized B@S-g-C<sub>3</sub>N<sub>4</sub> photocatalyst was characterized by UV–vis DRS, FT-IR, XRD, SEM, EDX, HR-TEM, XPS and electrochemical properties. In addition, the synthesized B@S-g-C<sub>3</sub>N<sub>4</sub> photocatalyst is a metal-free carbon nitride photocatalyst proven to be highly effective in performing organic transformations (conversion yield 98 %) like C-N bond formation under visible light source.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"46 ","pages":"Article 100669"},"PeriodicalIF":6.2,"publicationDate":"2024-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140894494","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
Cyrene- and water-based exfoliation of black phosphorus for potential nanolayer-mediated disaggregation of insulin fibrils 芘和水基剥离黑磷,实现潜在的纳米层介导的胰岛素纤维分解
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-01 DOI: 10.1016/j.flatc.2024.100665
Carla Caponio , Agata Costanzo , Serena Coiai , Francesca Cicogna , Emanuela Pitzalis , Silvia Borsacchi , Giulia Lorenzetti , Emilia Bramanti , Alessia Papalini , Antonella Battisti , Antonella Sgarbossa , Elisa Passaglia
{"title":"Cyrene- and water-based exfoliation of black phosphorus for potential nanolayer-mediated disaggregation of insulin fibrils","authors":"Carla Caponio ,&nbsp;Agata Costanzo ,&nbsp;Serena Coiai ,&nbsp;Francesca Cicogna ,&nbsp;Emanuela Pitzalis ,&nbsp;Silvia Borsacchi ,&nbsp;Giulia Lorenzetti ,&nbsp;Emilia Bramanti ,&nbsp;Alessia Papalini ,&nbsp;Antonella Battisti ,&nbsp;Antonella Sgarbossa ,&nbsp;Elisa Passaglia","doi":"10.1016/j.flatc.2024.100665","DOIUrl":"10.1016/j.flatc.2024.100665","url":null,"abstract":"<div><p>Liquid suspensions of phosphorene nanolayers (2D-bP) obtained through liquid phase exfoliation (LPE) of elemental black phosphorus (bP) have been prepared and extensively characterized. The exfoliating ability of deionized water (DI water), dihydrolevoglucosenone, (Cyrene), and N-methyl-2-pyrrolidone (NMP) has been investigated and compared along with the differences in the structure, concentration, and stability of the collected nanoflakes. Water was chosen as an exfoliating medium due to its harmlessness and cost-effectiveness and because it is the safest solvent for further potential biomedical applications. Cyrene is a new bio-based solvent still under study. NMP, which is among the most widely used solvents for the exfoliation of 2D systems including bP, has been employed for comparison. The obtained suspensions have been characterized by Dynamic Light Scattering (DLS), Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), Phosphorus <sup>31</sup> Nuclear Magnetic Resonance (<sup>31</sup>P NMR), Transmission Electron Microscopy (TEM), Ultraviolet -Visible (UV–Vis), and Raman spectroscopies. The stability of 2D-bP suspensions over time and their photoactivity, i.e., their ability to generate singlet oxygen species as a photosensitizer, have been investigated. The collected results evidenced that the exfoliation of bP in different solvents, including DI water, resulted in satisfactory and comparable nanoflake structures and features. The singlet oxygen generation through irradiation of 2D-bP in DI water suspensions, advantageously obtained directly from LPE, showed promising potential for use in photodynamic therapy (PDT). Preliminary data on the potential biomedical application of 2D-bP to inhibit the insulin self-assembly into amyloid aggregates as well as to cause fibrils disassembling through simple incubation or photoactivity, are also discussed.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"45 ","pages":"Article 100665"},"PeriodicalIF":6.2,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S245226272400059X/pdfft?md5=abfe2bc9e5b35488bc952e4469e88336&pid=1-s2.0-S245226272400059X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140783859","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
Single atom dispersed tungsten disulfide (WS2) based nanosensors for VOCs detection related to decomposed humans in disaster events 基于单原子分散二硫化钨 (WS2) 的纳米传感器,用于检测灾难事件中与人体分解有关的挥发性有机化合物
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-01 DOI: 10.1016/j.flatc.2024.100666
Maiken Ueland , Hyeonhu Bae , Anan Udomkijmongkol , Komsilp Kotmool , Vandana Gulati , Tanveer Hussain
{"title":"Single atom dispersed tungsten disulfide (WS2) based nanosensors for VOCs detection related to decomposed humans in disaster events","authors":"Maiken Ueland ,&nbsp;Hyeonhu Bae ,&nbsp;Anan Udomkijmongkol ,&nbsp;Komsilp Kotmool ,&nbsp;Vandana Gulati ,&nbsp;Tanveer Hussain","doi":"10.1016/j.flatc.2024.100666","DOIUrl":"10.1016/j.flatc.2024.100666","url":null,"abstract":"<div><p>Locating and recovering the victims as a result of disaster events is extremely challenging due to vast search areas, hazardous nature of destroyed infrastructure, and large number of potential victims. An effective avenue for the victim’s detection is through the sensing of human-specific volatile organic compounds (VOCs) emitted both in life and in death. Motivated by this, we employed first principles density functional theory (DFT) calculations to study the sensing properties of pristine, vacancy-induced and single atom dispersed tungsten disulfide (WS<sub>2</sub>) monolayers towards 11 specific VOCs associated with decomposing humans. We found that pristine, and vacancy-induced WS<sub>2</sub> weakly adsorbed the selected VOCs with adsorption energies (E<sub>ads</sub>) between −0.26 to −0.76 eV. However, the incorporation of selected single atoms of Co, Fe, Nb, and Ni in WS<sub>2</sub> improved the sensing properties tremendously. In particular, Nb-WS<sub>2</sub> adsorbed the incident VOCs with E<sub>ads</sub> values of −1.89, −209, −1.43, −0.94, −2.08, −1.57, −1.44, −1.47, −1.70, −1.03, and −2.14 eV for 2-Butanone, benzaldehyde, butanol, heptane, hexanal, methylamine, dimethyl disulfide, dimethyl trisulfide, pyridine, octane, and toluene, respectively, which are ideal for efficient sensing mechanism. Appropriate adsorptions were coupled with the measurable changes in the electronic properties (band gaps) of Nb-WS<sub>2</sub>, which is essential for proficient sensing. Charge transfer analysis, electro localization functions, electrostatic potentials, and work function calculations further authenticated the sensing propensities of single atom dispersed WS<sub>2</sub>. Finally, Langmuir adsorption model was employed to explore the sensing at diverse pressure and temperature settings. We believe that these results will help for the development of highly efficient nanosensors for the detection of VOCs related to decomposed humans in mass disaster events. This will increase the detection ability and the chance of locating these victims.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"45 ","pages":"Article 100666"},"PeriodicalIF":6.2,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140768062","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
TMDC-based hybrid photocatalyst for antibiotics degradation: A comprehensive review 基于 TMDC 的混合光催化剂用于降解抗生素:综述
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-05-01 DOI: 10.1016/j.flatc.2024.100653
Nidhin Francis , Yogesh S. Choudhary , Thomas Abraham , Usha K. Aravind , Charuvila T. Aravindakumar
{"title":"TMDC-based hybrid photocatalyst for antibiotics degradation: A comprehensive review","authors":"Nidhin Francis ,&nbsp;Yogesh S. Choudhary ,&nbsp;Thomas Abraham ,&nbsp;Usha K. Aravind ,&nbsp;Charuvila T. Aravindakumar","doi":"10.1016/j.flatc.2024.100653","DOIUrl":"10.1016/j.flatc.2024.100653","url":null,"abstract":"<div><p>Dive into the captivating world of Transition Metal Dichalcogenides (TMDCs), classic compounds with the formula TMX<sub>2</sub>, promising potent photocatalytic prowess in degrading emerging pollutants, notably antibiotics. The hybridized form of TMDCs steals the spotlight, showcasing an enhanced ability for antibiotics degradation due to corresponding synergetic effect, as observed from the literature. The narrative explores key factors influencing antibiotics degradation, encompassing a wide array of photocatalytic synthesis approaches and strategies for boosting its performance. Detailed studies on antibiotics degradation using hybrid TMDCs vividly illustrate the growing foothold of research in this direction. Through addressing the challenges faced by TMDC hybrid photocatalysts in antibiotic degradation, the present review not only unveils obstacles but also suggests prospective solutions for the future. This concise yet comprehensive review serves as a global compass, inviting researchers worldwide to delve into the realm of hybrid TMDC photocatalysts and contribute to our collective understanding. In the face of environmental challenges, this review offers valuable insights, pointing the way toward a cleaner and sustainable future.</p></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"45 ","pages":"Article 100653"},"PeriodicalIF":6.2,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140763402","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
Electrochemical investigation of electrophoretically deposited graphene-oxide coating on AZ31 alloy prepared using in-house synthesized few-layer graphene-oxide nanosheets 利用内部合成的几层氧化石墨烯纳米片制备的 AZ31 合金电泳沉积氧化石墨烯涂层的电化学研究
IF 6.2 3区 材料科学
FlatChem Pub Date : 2024-04-24 DOI: 10.1016/j.flatc.2024.100667
Rajath R. Mendon , Pundrikaksha Upadhyay , Deepak Ku. Sahu , Bhavyan Sahayata , Sanjeev Das , Archana Mallik
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