FlatChem最新文献_第5页

Cost-effective and selective determining <1 µm melamine microplastics via the photoelectrochemical properties of Ir-Cu non-hexagonal nanosheets 通过非六角Ir-Cu纳米片的光电化学特性，经济高效地选择性测定小于1微米的三聚氰胺微塑料

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100801

Nallin Sharma , Chia-Hung Chi , Deepak Dabur , Andrew Chi-Chang Tsai , Hui-Fen Wu

{"title":"Cost-effective and selective determining <1 µm melamine microplastics via the photoelectrochemical properties of Ir-Cu non-hexagonal nanosheets","authors":"Nallin Sharma , Chia-Hung Chi , Deepak Dabur , Andrew Chi-Chang Tsai , Hui-Fen Wu","doi":"10.1016/j.flatc.2024.100801","DOIUrl":"10.1016/j.flatc.2024.100801","url":null,"abstract":"<div><div>The increasing health hazards of microplastics has raised an alarming scenario worldwide. Microplastic contaminants are present everywhere and causing unwanted interactions and hence termed as pollutants. Strict studies to explore the involvement of small-size microplastics are need of hour, and highly sensitive probes are required for identification. The present study explores highly sensitive identification of <1 µm melamine microplastic in water sources using non-hexagonal IrCu (NH-IC) nanosheets as a photoelectrochemical (PEC) agent. Synthesis of IrCu nanosheet is carried out via a non-hydrolytic sol–gel process, assisted with the probe-sonication method. The methodology is stringently developed to achieve high PEC response under UV illumination, the current density increases after UV-illumination. Selective identification of melamine was achieved in comparison with other similar-sized microplastics, and particulate count’s measurement showed a high linearity response. The particulate study shows a high linearity response after incubation with the NH-IC nanosheet. The calculated response after melamine microplastic incubation for 10 and 20 min is R<sup>2</sup> 0.9421, 0.9624 and the limit of detection is 0.034 ppm and 0.0028 ppm, respectively.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100801"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182939","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

Development of flexible nicotine sensors by inkjet printing of heteroatom-doped 3D V2C MXene nanoflower/holey carbon nanotube-based inks

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2025.100811

Havva Nur Gurbuz , Kenan Can Tok , Mehmet Gumustas , Esra Maltas Cagil , Hasan Huseyin Ipekci , Aytekin Uzunoglu

{"title":"Development of flexible nicotine sensors by inkjet printing of heteroatom-doped 3D V2C MXene nanoflower/holey carbon nanotube-based inks","authors":"Havva Nur Gurbuz , Kenan Can Tok , Mehmet Gumustas , Esra Maltas Cagil , Hasan Huseyin Ipekci , Aytekin Uzunoglu","doi":"10.1016/j.flatc.2025.100811","DOIUrl":"10.1016/j.flatc.2025.100811","url":null,"abstract":"<div><div>Two-dimensional (2D) metal carbides, nitrides, and carbo nitrides (MXenes) are considered potent alternatives to carbon-based 2D materials for inkjet printing. On the other hand, the low oxidation resistance and vulnerability to restacking issues make developing novel MXene-based materials with 3D structures essential. Herein, we developed highly stable aqueous inks consisting of Nitrogen and Sulphur-codoped (V<sub>2</sub>C MXene nanoflower (Nf)/holey multiwalled carbon nanotube (h-MWCNT)) hybrids. The V<sub>2</sub>C MXene Nf architectures with an average particle size of 284.6 ± 78.8 nm were synthesized using a facile ultrasonic treatment followed by a freeze-drying process without any template. The 3D V<sub>2</sub>C MXene architectures were mixed with holey MWCNTs to enhance the oxidation stability of MXene. Furthermore, creating holes in the MWCNT structure enhanced the printability of the inks and boosted the electrochemical performance of the printed sensors significantly compared to pristine MWCNT-based hybrids. The inks were inkjet printed on flexible substrates to fabricate electrochemical sensors. The electrocatalytic activity of the printed sensors was assessed against nicotine. The results indicated that our novel printed sensor design performed much better than already reported sensors in terms of linear range (10–500 µM) and LOD (0.058 µM).</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100811"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182973","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

The role of delaminating agents on the structure, morphology, bonding and electrical properties of HF etched MXenes

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100806

Swati Singh, Saicharan Dharavath, Supriya Kodali, Raj Kishora Dash

{"title":"The role of delaminating agents on the structure, morphology, bonding and electrical properties of HF etched MXenes","authors":"Swati Singh, Saicharan Dharavath, Supriya Kodali, Raj Kishora Dash","doi":"10.1016/j.flatc.2024.100806","DOIUrl":"10.1016/j.flatc.2024.100806","url":null,"abstract":"<div><div>MXenes (2-dimensional metal carbides and carbonitrides) have gained significant attention as layered materials due to their unique combination of high electrical conductivity and hydrophilic nature. In this study, titanium carbide MXene (Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>) nanosheets have been synthesized by etching the MAX phase (Ti<sub>3</sub>AlC<sub>2</sub>) using hydrofluoric acid (HF) and subsequently delaminated using three different reagents: Tetramethylammonium hydroxide (TMAOH), Dimethyl sulfoxide (DMSO) and Aqueous ammonia (aq. NH<sub>3</sub>). The impact of these delaminating agents on the structure, morphology and electrical properties of the resulting MXenes was thoroughly investigated to elucidate the underlying mechanisms. Experimental results reveal that TMAOH is more effective in achieving layer separation than DMSO and aqueous NH<sub>3</sub>. Field emission scanning electron microscopy (FESEM) images confirm superior delamination with TMAOH, resulting in thinner, more transparent sheets than those obtained with the other agents. Raman spectroscopy further confirms successful layer separation in samples delaminated with TMAOH and DMSO with various surface functional groups including –OH, –F, and =O present on all delaminated sheets indicating that functionalization occurs during delamination. The electrical conductivity measurements results reveal that the etched MAX phase (MX3) exhibits higher electrical conductivity than the delaminated samples of identical thickness, likely due to the Grotthuss mechanism of proton conductivity playing a dominant role.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100806"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182974","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

Hydrogen binding on the B36 borophene nanoflake decorated with first row transition metal atoms: DFT, QTAIM and AIMD study

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100799

Kristína Tančárová , Iuliia V. Voroshylova , Lukas Bucinsky , Michal Malček

{"title":"Hydrogen binding on the B36 borophene nanoflake decorated with first row transition metal atoms: DFT, QTAIM and AIMD study","authors":"Kristína Tančárová , Iuliia V. Voroshylova , Lukas Bucinsky , Michal Malček","doi":"10.1016/j.flatc.2024.100799","DOIUrl":"10.1016/j.flatc.2024.100799","url":null,"abstract":"<div><div>Borophene, a monolayer of boron atoms, belongs to intensively studied two-dimensional “beyond-graphene” materials. The B<sub>36</sub> borophene nanoflake is a finite size model system, containing a hexagonal vacancy similar to the ones present in β<sub>12</sub> and χ<sub>3</sub> borophene sheets. The hydrogen binding performance of B<sub>36</sub> decorated with various transition metal atoms is investigated using density functional theory and quantum theory of atoms in molecules. Hydrogen is considered to become one of the crucial energy sources in future, hence, a search for effective hydrogen storage materials is of urge importance. Obtained results suggest that B<sub>36</sub> decorated with Co, Ni, Fe, and Cu possess strong affinity to bind the H<sub>2</sub> molecule via formation of <em>η</em><sup>2</sup>-dihydrogen bonds. Among them, the strongest H<sub>2</sub> binding is found for Co- and Ni-decorated B<sub>36</sub>. Furthermore, B<sub>36</sub> decorated with Sc and Ti behave like H–H bond breakers while B<sub>36</sub> decorated with Zn possess only negligible affinity to bind H<sub>2</sub> molecule. The stability of the B<sub>36</sub> decorated with Co and Ni is verified by ab initio molecular dynamics. The presented data may also serve as a basis for reference in future large-scale computational studies of borophene-based materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100799"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182865","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

Enhanced macroscopic polarization in bismuth titanate nanosheets for efficient piezo-photocatalytic degradation of pollutants by Nd doping 通过掺杂钕增强钛酸铋纳米片的宏观极化，实现污染物的高效压电光催化降解

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100803

Qinrou Li , Sihai Sun , Yi Zeng , Xianxi Luo, Shiwei Liu, Jinhua Zhang, Zhiwu Chen

{"title":"Enhanced macroscopic polarization in bismuth titanate nanosheets for efficient piezo-photocatalytic degradation of pollutants by Nd doping","authors":"Qinrou Li , Sihai Sun , Yi Zeng , Xianxi Luo, Shiwei Liu, Jinhua Zhang, Zhiwu Chen","doi":"10.1016/j.flatc.2024.100803","DOIUrl":"10.1016/j.flatc.2024.100803","url":null,"abstract":"<div><div>Recently, piezo-photocatalysis has attracted great scientific interest, in which a piezoelectric field promotes the separation of photogenerated electron-hole pairs, thereby significantly enhancing the photocatalytic efficiency of the material. In this study, Bi<sub>4-</sub><em><sub>x</sub></em>Nd<em><sub>x</sub></em>Ti<sub>3</sub>O<sub>12</sub> (<em>x</em> = 0, 0.5, 0.75, 1.0, <em>x</em>Nd-BTO) nanosheets were fabricated through a hydrothermal technique and employed as piezo-photocatalysts to degrade Rhodamine B (RhB) and diclofenac sodium (DS). Across all samples, 0.75Nd-BTO exhibited the highest piezo-photocatalytic efficiency, achieving complete RhB degradation in just 25 min, with an apparent rate constant of 0.2151 min<sup>−1</sup>. This activity was approximately 9.31 times greater than that of pristine BTO, surpassing the performance of most piezo-photocatalysts reported. The appropriate amount of Nd doping increases the specific surface area, optimizes energy band structure, as well as promotes the coupling of piezoelectric and photocatalytic effects, which contribute to the excellent piezo-photocatalytic activity of 0.75Nd-BTO. In this work, it is shown that doping with appropriate amounts of Nd<sup>3+</sup> can significantly improve the piezo-photocatalytic performance of piezoelectrics, which provides a feasible way to design efficient piezo-photocatalysts in the future.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100803"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182943","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

Rapid self-reconstruction of nickel in amorphous nickel borate nanosheets for efficient oxygen evolution in alkaline seawater splitting

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100804

Thangavel Sakthivel , Abiyazhini Rajendran

{"title":"Rapid self-reconstruction of nickel in amorphous nickel borate nanosheets for efficient oxygen evolution in alkaline seawater splitting","authors":"Thangavel Sakthivel , Abiyazhini Rajendran","doi":"10.1016/j.flatc.2024.100804","DOIUrl":"10.1016/j.flatc.2024.100804","url":null,"abstract":"<div><div>Enhancing the transformation of true (Ni<sup>2+</sup> to Ni<sup>3+</sup>) active site in amorphous nickel borate (NiB) is the paramount importance in alkaline water/ seawater splitting. In this study, we strengthen the oxygen evolution reaction (OER) performance of amorphous NiB nanosheets by adding Fe. The incorporated Fe enriches conductivity which facilitating formation of real active site in the NiFeB. This unique nanosheet structure of NiFeB features more active sites and large open surface area that permit the better electrolyte diffusion. The optimized electrocatalyst demonstrates impressive OER activity with an ultra-low overpotential of 180 mV (50 mA cm<sup>−2</sup>), a small Tafel slope (63 mV dec<sup>−1</sup>) also exhibits exceptional durability over 24 h in alkaline water. Similarly, in alkaline seawater, the catalyst displays a low over potential of 185 mV to reach 50 mA cm<sup>−2</sup>, a small Tafel slope 46 mV dec<sup>−1</sup> and excellent durability over 24 h. For the hydrogen evolution reaction in alkaline water, the amorphous NiFe0.5B nanosheet shows low overpotential as 290 mV at 10 mA cm<sup>−2</sup>, a small Tafel slope 195 mV dec<sup>−1</sup>. In overall alkaline seawater splitting, the catalyst delivers 50 mA cm<sup>−2</sup> at the lowest cell voltage of 1.63 V with exceptional stability. This work provides valuable insights into the cost-effective design of amorphous transition metal borate OER catalyst for seawater splitting.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100804"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143183021","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-enhanced polymer composites: A state-of-the-art perspective on applications

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100797

Saurav Kumar Maity , Uplabdhi Tyagi , Ritesh Kumar , Krishna Kumar , Nikita Sheoran , Shagun Singh , Gulshan Kumar

{"title":"Graphene-enhanced polymer composites: A state-of-the-art perspective on applications","authors":"Saurav Kumar Maity , Uplabdhi Tyagi , Ritesh Kumar , Krishna Kumar , Nikita Sheoran , Shagun Singh , Gulshan Kumar","doi":"10.1016/j.flatc.2024.100797","DOIUrl":"10.1016/j.flatc.2024.100797","url":null,"abstract":"<div><div>Graphene-reinforced polymer composites (GRPCs) have evolved into a cutting-edge class of materials with remarkable physicochemical and thermomechanical properties. These composites offer a viable alternative to traditional materials with multifaceted applications. While existing studies have focused on specific polymer matrices and applications, there remains a lack of comprehensive analysis that integrates recent advancements in both thermosetting and thermoplastic polymers with an emphasis on their multifunctional properties. Therefore, the present review extensively focused on the state-of-the-art in the fabrication of GRPCs covering a wide range of thermosetting and thermoplastic polymer matrices. Several functionalization methods of graphene including covalent and non-covalent approaches were explored to enhance its compatibility and dispersion within the polymer matrices for enhanced properties. Recent advances in fabrication strategies which are crucial for enhancing interfacial bonding and preserving the intrinsic properties of graphene for optimizing the overall performance of the composite, are thoroughly discussed. Furthermore, several applications have been comprehensively explored in various sectors which lies due to the superior performance, higher sensitivity, and enhanced durability. In addition, this review critically discusses the environmental impact and sustainability related to GRPCs along with their challenges in the development and potential to revolutionize material design. This review offers a thorough overview of the latest advancements in GRPCs, bridging existing knowledge gaps and serving as a valuable asset for driving innovation across industries and promoting the growth of human civilization.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100797"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182936","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

Visible light-driven degradation of Brilliant Green and Indigo Carmine organic contaminants using SnS2/GCN/rGO and CuS/GCN/rGO ternary composites – A comparative study

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100805

Sarvesha Chandra Shyagathur , Jayadev Pattar , Mahendra K , Anil Halaudara Nagaraja Rao , Sreekanth R , Ganganagappa Nagaraju

{"title":"Visible light-driven degradation of Brilliant Green and Indigo Carmine organic contaminants using SnS2/GCN/rGO and CuS/GCN/rGO ternary composites – A comparative study","authors":"Sarvesha Chandra Shyagathur , Jayadev Pattar , Mahendra K , Anil Halaudara Nagaraja Rao , Sreekanth R , Ganganagappa Nagaraju","doi":"10.1016/j.flatc.2024.100805","DOIUrl":"10.1016/j.flatc.2024.100805","url":null,"abstract":"<div><div>This study introduces novel SnS<sub>2</sub>/GCN/rGO and CuS/GCN/rGO ternary composites for the visible-light-driven degradation of organic contaminants, specifically targeting the dyes Brilliant Green (BG) and Indigo Carmine (IC). X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM-EDS), UV–visible, Photoluminescence (PL), and impedance spectroscopy were used to characterize the synthesized samples to extract the characteristic features of the catalysts. The chemical compositions of synthesized samples were confirmed using X-ray photoelectron spectroscopy (XPS). The ternary composite SnS<sub>2</sub>/GCN/rGO revealed the degradation of BG by 98.0 % and IC by 80.9 %. CuS/GCN/rGO composite has shown degradation efficiencies of 92.7 % for BG and 78.5 % for IC. Unlike previous approaches, this work provides a comparative analysis of SnS<sub>2</sub> and CuS-based ternary systems, emphasizing their distinct photocatalytic mechanisms Z-scheme in SnS<sub>2</sub>/GCN/rGO and direct electron transfer in CuS/GCN/rGO. By integrating GCN and rGO, this study addresses the typical limitations of metal sulfides, such as rapid charge recombination, enhanced electron mobility, and overall degradation efficiency under visible light. The confirmation of degradation species is made using chemical oxygen demand (COD) measurements. These results were supported by the reduction in the photoluminescence intensity and lower charge transfer resistance by impedance spectra suggesting an enhanced degradation rate for the ternary composites.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100805"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182864","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

Highly efficient overall photocatalytic water splitting in 2D heterostructure GaSe/ScGaSe3

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2024.100798

Chao He , Du He , Qinghua Lv , Bei Peng , Hao Wang , Pan Zhang , Jun-Hui Yuan , Jiafu Wang , Hui Lv

{"title":"Highly efficient overall photocatalytic water splitting in 2D heterostructure GaSe/ScGaSe3","authors":"Chao He , Du He , Qinghua Lv , Bei Peng , Hao Wang , Pan Zhang , Jun-Hui Yuan , Jiafu Wang , Hui Lv","doi":"10.1016/j.flatc.2024.100798","DOIUrl":"10.1016/j.flatc.2024.100798","url":null,"abstract":"<div><div>In the field of photocatalytic water splitting, the efficient utilization of solar energy is paramount. However, until now, the infrared and ultraviolet portions of the solar spectrum, which collectively constitute nearly half of the total solar energy, have remained underutilized, resulting in significant losses in solar energy utilization efficiency. Herein, we meticulously design a type-II band-aligned GaSe/ScGaSe<sub>3</sub> heterostructure and meticulously examine its photocatalytic capabilities through rigorous first-principles calculations. The calculation results reveal the valence band and conduction band are distributed on two opposite surfaces with a large electrostatic potential difference produced by the intrinsic dipole of the photocatalyst. This surface potential difference, acting as an auxiliary booster for photoexcited electrons, This enables the GaSe/ScGaSe<sub>3</sub> heterostructure to exhibit a minimal indirect band gap of 0.44 eV, ensuring effective photocatalytic water splitting reactions at all pH values under the action of the inherent electric field. Furthermore, the heterostructure possesses unique optical properties, demonstrating a high light absorption coefficient. It captures an impressive 10 % to 43 % of visible and ultraviolet light, significantly enhancing the utilization efficiency of sunlight. Encouragingly, our analysis shows that the corrected solar-to-hydrogen (STH) efficiency of this heterostructure is 33.77 %, marking a tremendous leap of 346 % compared to standalone GaSe monolayers. Additionally, the application of biaxial tensile strain further boosts this efficiency to an astonishing 36.46 %. These remarkable characteristics not only emphasize the immense potential and broad application prospects of the GaSe/ScGaSe<sub>3</sub> heterostructure but also underscore its significance in advancing the field of photocatalytic water splitting.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100798"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182940","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

Boron phosphide (BP) graphenylene as work function-type sensor for glucose detection: First-principles investigations 磷化硼 (BP) 石墨苯作为功函数型传感器用于葡萄糖检测：第一原理研究

IF 5.9 3区材料科学

FlatChem Pub Date : 2025-01-01 DOI: 10.1016/j.flatc.2025.100810

Yusuf Zuntu Abdullahi , Sohail Ahmad , José A.S. Laranjeira , Nicolas F. Martins

{"title":"Boron phosphide (BP) graphenylene as work function-type sensor for glucose detection: First-principles investigations","authors":"Yusuf Zuntu Abdullahi , Sohail Ahmad , José A.S. Laranjeira , Nicolas F. Martins","doi":"10.1016/j.flatc.2025.100810","DOIUrl":"10.1016/j.flatc.2025.100810","url":null,"abstract":"<div><div>Diabetes is a chronic metabolic disorder characterized by elevated blood sugar levels, leading to severe health complications. Non-invasive glucose monitoring is essential for effective diabetes management, and porous materials are promising candidates for this purpose due to their high surface-to-volume ratio and the availability of active sites for adsorption. In this study, we explore the potential of g-BP (graphenylene-like boron phosphide) as a non-enzymatic glucose sensor. Adsorption energies (E<span><math><msub><mrow></mrow><mrow><mi>a</mi><mi>d</mi><mi>s</mi></mrow></msub></math></span>) for glucose, fructose, and xylose on gaseous (aqueous) media were calculated as −0.74 eV (−1.13 eV), −0.66 eV (−1.04 eV), and −0.58 eV (−1.07 eV), respectively, with the sugar molecules chemisorbed on the g-BP surface. The variations on E<span><math><msub><mrow></mrow><mrow><mi>a</mi><mi>d</mi><mi>s</mi></mrow></msub></math></span> when water molecules are present are due to hydrogen bonding interactions between H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O and the sugars. Recovery time results indicate that the g-BP monolayer can be utilized as a reusable sensor for these sugar molecules with high selectivity. A band gap opening of approximately 0.67 eV is observed under the adsorption of all sugar molecules. Notably, the work function (<span><math><mi>ϕ</mi></math></span>) of g-BP changes significantly upon glucose adsorption for both gaseous and aqueous environments, making it highly sensitive for glucose detection. These findings suggest that g-BP is a promising material for non-invasive work function glucose sensors, as well as for diabetes management.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"49 ","pages":"Article 100810"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182941","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