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PolyRingene: A novel 2D carbon allotrope explored via first-principles and machine learning interatomic potentials 聚壬烯:一种新的二维碳同素异形体,通过第一性原理和机器学习原子间电位进行了探索
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-11 DOI: 10.1016/j.flatc.2025.100951
Rodrigo A.F. Alves , Hugo X. Rodrigues , José A.S. Laranjeira , Fábio L.L. Mendonça , Alysson M.A. Silva , Julio R. Sambrano , Luiz A. Ribeiro Junior
{"title":"PolyRingene: A novel 2D carbon allotrope explored via first-principles and machine learning interatomic potentials","authors":"Rodrigo A.F. Alves ,&nbsp;Hugo X. Rodrigues ,&nbsp;José A.S. Laranjeira ,&nbsp;Fábio L.L. Mendonça ,&nbsp;Alysson M.A. Silva ,&nbsp;Julio R. Sambrano ,&nbsp;Luiz A. Ribeiro Junior","doi":"10.1016/j.flatc.2025.100951","DOIUrl":"10.1016/j.flatc.2025.100951","url":null,"abstract":"<div><div>We report the computational design and characterization of PolyRingene, a novel two-dimensional carbon allotrope with a lattice composed of 3-, 4-, 5-, 6-, 8-, and 10-membered rings. First-principles calculations confirm the energetic, dynamical, and thermal stability of this material through phonon dispersion and ab initio molecular dynamics simulations. Electronic structure analysis reveals a metallic character. Mechanical response under uniaxial strain shows anisotropy, with Young’s modulus of 610 GPa along the x-direction and 560 GPa along the y-direction. Fracture occurs at 12% strain, accompanied by the formation of linear atomic carbon chains that bridge the ruptured regions. To enable large-scale simulations, we developed a machine learning interatomic potential (MLIP) trained on density functional theory data. The MLIP accurately reproduces phonon spectra and stress–strain responses, outperforming traditional empirical potentials and demonstrating excellent transferability.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100951"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324476","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
Utilization of copper-coordinated metal-organic framework materials for crystal violet removal: Modeling using box-behnken experimental design 利用铜配位金属有机骨架材料去除结晶紫:采用盒式实验设计建模
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-10 DOI: 10.1016/j.flatc.2025.100950
Şebnem Şimşiroğlu , Taner Aslan , Berrin Saygı Yalçın , Erol Erçağ , Jülide Hızal
{"title":"Utilization of copper-coordinated metal-organic framework materials for crystal violet removal: Modeling using box-behnken experimental design","authors":"Şebnem Şimşiroğlu ,&nbsp;Taner Aslan ,&nbsp;Berrin Saygı Yalçın ,&nbsp;Erol Erçağ ,&nbsp;Jülide Hızal","doi":"10.1016/j.flatc.2025.100950","DOIUrl":"10.1016/j.flatc.2025.100950","url":null,"abstract":"<div><div>This study aims to evaluate the effectiveness of pyromellitic diimide carboxylic acid-derived with high retention capacity MOFs as adsorbents for contaminant removal, employing CV as a model pollutant. The adsorbents were synthesized by individually treating the organic linkers with Cu(II) solution at 100–110 °C for 12 h. The characterization of the adsorbents was conducted using FTIR, SEM, PXRD, TGA, BET/N<sub>2</sub> surface area analysis, zeta potential measurement, and potentiometric titration. The specific surface areas were determined to be 780.64 m<sup>2</sup>/g for PDBA-Cu and 445.69 m<sup>2</sup>/g for PDPA-Cu. The sorption properties of the produced adsorbents were analyzed, considering contact time, initial concentration, pH, and temperature. The adsorptions fitted to the PSOM, exhibiting k values of 0.001 and 0.002 for PDBA-Cu and PDPA-Cu, respectively, in conjunction with the presence of pore diffusion. The CV adsorption on PDPA-Cu conformed to the Freundlich isotherm and had Langmuir characteristics for PDBA-Cu. The Q<sub>max</sub> values were yielded as 322.58 mg/g for PDBA-Cu and 400.00 mg/g for PDPA-Cu at 313 K. The maximum adsorptions were achieved at pH levels between 2 and 7 for PDBA-Cu and between 2 and 9 for PDPA-Cu. Electrostatic and π-π interactions have played a role in the CV adsorption on fabricated MOFs. The adsorptions were optimized via modeling with Response Surface Methodology and Box-Behnken Design, based on the critical process variables of contact time, temperature, and initial dye concentration. The findings of this study validated the superior efficacy of the synthesized MOFs in eliminating cationic organic dyes and their applicability in treatment methods.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100950"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324477","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
Mass production of functionalized graphene nanoplatelets and their application as aqueous-based conductive inks 功能化石墨烯纳米片的大规模生产及其在水基导电油墨中的应用
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-21 DOI: 10.1016/j.flatc.2025.100959
Edgar H. Ramírez-Soria , Marcelo A. Martínez-Puente , Armando E. Castillo , L.E. Elizalde-Herrera , M.A. Garza-Navarro , Tania E. Lara-Ceniceros , Alfredo Aguilar-Elguezabal , José Bonilla-Cruz
{"title":"Mass production of functionalized graphene nanoplatelets and their application as aqueous-based conductive inks","authors":"Edgar H. Ramírez-Soria ,&nbsp;Marcelo A. Martínez-Puente ,&nbsp;Armando E. Castillo ,&nbsp;L.E. Elizalde-Herrera ,&nbsp;M.A. Garza-Navarro ,&nbsp;Tania E. Lara-Ceniceros ,&nbsp;Alfredo Aguilar-Elguezabal ,&nbsp;José Bonilla-Cruz","doi":"10.1016/j.flatc.2025.100959","DOIUrl":"10.1016/j.flatc.2025.100959","url":null,"abstract":"<div><div>Graphene nanoplatelets possess exceptional physical and chemical properties; however, the absence of efficient large-scale production methods and their poor dispersion in solvents significantly hinder their practical applications. Chemical exfoliation enables the large-scale production of graphene nanoplatelets; nonetheless, these processes involve strong acids, potent oxidizing agents, and hazardous chemicals, raising environmental and scalability concerns. In this study, we propose an environmentally friendly, scalable, and sustainable one-pot approach for the large-scale production of phosphate-functionalized graphene nanoplatelets (G-POH) via anodic exfoliation at a rate of 3.5 g/(h·L). Key innovations include temperature control (25 °C), continuous extraction of exfoliated-functionalized nanoplatelets using a peristaltic pump, and electrolyte recirculation. Using a 1 M H₃PO₄ aqueous solution as both the electrolyte and the source of phosphate functional groups, we successfully obtained G-POH with a thickness of 3.6 ± 0.22 nm (∼2–3 layers per stack), and a specific surface area of 175 m<sup>2</sup>/g (BET). <sup>31</sup>P NMR confirmed the presence of phosphate monoester species chemically bound to graphene nanoplatelets. Moreover, G-POH exhibited good dispersion in polar solvents, enabling the formulation of an aqueous-based conductive ink. This ink was effectively applied to various surfaces (cotton lab coats, ceramic tiles, glass, drywall, biaxially oriented polypropylene (BOPP), and polyester films), using multiple application methods (fountain pen, brush, and film coater). The resulting conductive patterns successfully illuminated multiple LEDs. The conductive film on a flexible BOPP substrate demonstrated excellent electrical conductivity (1.183 × 10<sup>4</sup> S/m, 16 ± 1.4 Ω/sq) over 100 bending cycles, highlighting its potential for flexible electronics and sustainable conductive coatings.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100959"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358718","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
Tris(8-hydroxyquinolinato)aluminum-doped stretchable alternating current electroluminescent devices with tunable multicolor emission for patterned display application 具有可调多色发射的掺铝可拉伸交流电致发光器件,用于图案显示
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-09-27 DOI: 10.1016/j.flatc.2025.100941
Huan Gao , Yilin Guo , Haoran Li , Zimen Yu , Yugang Chen , Qing Cao , Yiren Liu , Hongtao Cao , Shasha Wang , Linghai Xie
{"title":"Tris(8-hydroxyquinolinato)aluminum-doped stretchable alternating current electroluminescent devices with tunable multicolor emission for patterned display application","authors":"Huan Gao ,&nbsp;Yilin Guo ,&nbsp;Haoran Li ,&nbsp;Zimen Yu ,&nbsp;Yugang Chen ,&nbsp;Qing Cao ,&nbsp;Yiren Liu ,&nbsp;Hongtao Cao ,&nbsp;Shasha Wang ,&nbsp;Linghai Xie","doi":"10.1016/j.flatc.2025.100941","DOIUrl":"10.1016/j.flatc.2025.100941","url":null,"abstract":"<div><div>Stretchable alternating current electroluminescent (ACEL) devices that emit multiple colors are essential for soft electronics and displays. However, traditional ACEL devices face significant challenges in terms of color tunability and stretchability. This study introduced tris(8-hydroxyquinolinato)aluminum (Alq<sub>3</sub>) into the emitting layer for the construction of a multicolored ACEL device, which achieves color-tunable emissions from blue to red (464–588 nm) by adjusting the mass ratio of Alq<sub>3</sub> to ZnS-based phosphors. Polydimethylsiloxane was integrated as a flexible matrix and Ag nanowires as stretchable electrodes to endow the device with mechanical stretchability up to 240 %, while maintaining stable emission under 50 % strain. Structural and photophysical characterizations have confirmed that the incorporation of Alq<sub>3</sub> does not affect the crystallinity of the phosphors but regulates emission through charge transfer. Patterned multicolor display arrays and a customizable “CMSOD” emblem have been fabricated, highlighting potential applications in information displays. This work presents a straightforward method for fabricating stretchable ACEL devices with tunable color output through organic-inorganic hybrids, offering an alternative ACEL device for soft optoelectronics with colorful displays.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100941"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263267","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
2D materials-based hybrid films for rhodamine B removal and SERS detection 基于二维材料的混合膜去除罗丹明B和SERS检测
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-11-17 DOI: 10.1016/j.flatc.2025.100969
Beatriz P. de Sousa , Leonardo Amaral , Ana L. Daniel-da-Silva , Tito Trindade , Gil Gonçalves , Sara Fateixa
{"title":"2D materials-based hybrid films for rhodamine B removal and SERS detection","authors":"Beatriz P. de Sousa ,&nbsp;Leonardo Amaral ,&nbsp;Ana L. Daniel-da-Silva ,&nbsp;Tito Trindade ,&nbsp;Gil Gonçalves ,&nbsp;Sara Fateixa","doi":"10.1016/j.flatc.2025.100969","DOIUrl":"10.1016/j.flatc.2025.100969","url":null,"abstract":"<div><div>Growing concerns among consumers and regulatory authorities regarding food safety have highlighted the need for effective detection and removal of hazardous substances. Rhodamine B (RhB), an illegal food dye with known genotoxic and carcinogenic properties, poses a significant threat to food safety and human health. In this study, we report for the first time the fabrication of multifunctional hybrid films composed of graphene oxide (GO) and molybdenum disulfide (MoS<sub>2</sub>) nanosheets for the dual purpose of RhB removal and surface-enhanced Raman scattering (SERS) detection. Hybrid films were engineered by varying the relative concentrations and compositions of the GO and MoS<sub>2</sub>. Structural analysis revealed that the increased MoS<sub>2</sub> content in the hybrid films resulted in the formation of two distinct regions, a dense MoS<sub>2</sub>-rich bottom layer and a GO-enriched upper layer. Adsorption studies showed that the RhB removal efficiency increased with MoS<sub>2</sub> content, achieving up to 99.9 % removal with films composed entirely of MoS<sub>2</sub> (100 wt%). SERS analysis revealed a relationship between the MoS<sub>2</sub> and GO content in the hybrid films and the Raman signal intensity of RhB. These outcomes can be attributed to the differences in the molecular interactions between RhB and the individual film components of the sensors. To balance the high adsorption efficiency with sensitive detection, hybrid films containing 75 and 100 wt% MoS<sub>2</sub> (GO/MoS<sub>2</sub>_25/75, GO/MoS<sub>2</sub>_0/100, respectively) were selected for further validation. The proof-of-concept was demonstrated using RhB-spiked sweet pepper powder, where the GO/MoS<sub>2</sub>_0/100 film achieved a detection limit of 0.01 wt% (100 ppm), and the GO/MoS₂_25/75 film detected as low as 0.1 wt% (1000 ppm). In addition, RhB was detected in complex water samples, namely wastewater, mineral water, tap water, and Aveiro Estuary water, using the GO/MoS<sub>2</sub>_0/100 film, with a detection limit of 100 nM for the latter. Overall, this study introduces a new class of multifunctional 2D-material-based hybrid films that merge adsorption and SERS sensing capabilities within a single architecture, offering a technologically meaningful and simple approach for ultrasensitive, on-site monitoring and removal of illicit food dyes and related contaminants.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100969"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145568255","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
UV-induced, nonenzymatic, H₂O₂-free colorimetric detection of Dopamine using MXene-based quasi-quantum dots 基于mxeni准量子点的紫外诱导、非酶、无H₂O₂比色法检测多巴胺
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-11-09 DOI: 10.1016/j.flatc.2025.100966
Rajapriya Govindaraju, Jongsung Kim
{"title":"UV-induced, nonenzymatic, H₂O₂-free colorimetric detection of Dopamine using MXene-based quasi-quantum dots","authors":"Rajapriya Govindaraju,&nbsp;Jongsung Kim","doi":"10.1016/j.flatc.2025.100966","DOIUrl":"10.1016/j.flatc.2025.100966","url":null,"abstract":"<div><div>This study presents a UV-activated, nonenzymatic, and hydrogen peroxide–independent colorimetric sensing strategy for the highly sensitive and selective detection of dopamine (DA), utilizing MXene-derived quasi-quantum dots (MQQDs) as photoactive nanozymes. The MQQDs demonstrate pronounced UV-activated oxidase-mimetic catalytic activity, facilitating the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) into its blue oxidized form (oxTMB) in the absence of H₂O₂. Upon the introduction of dopamine (DA), the absorbance intensity of oxTMB at 652 nm decreases progressively with increasing DA concentration. This attenuation is attributed to the redox interplay between DA and the photoexcited MQQDs, wherein DA acts as an electron donor, reducing oxTMB back to its colorless TMB form and thereby inhibiting the oxidation reaction. This electron-transfer-mediated inhibition mechanism enables quantitative colorimetric detection of DA with a detection limit of 65.4 nM. Spectroscopic analysis and kinetic fitting confirm the UV-triggered oxidase-mimetic behavior of MQQDs following Michaelis–Menten kinetics. The developed H₂O₂-free photoenzymatic platform offers a facile, stable, and environmentally benign route for DA quantification, with promising applicability in point-of-care diagnostics and neurochemical sensing.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100966"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516667","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
Thermal transport properties of WSe2 monolayer with tilt grain boundaries 倾斜晶界WSe2单层的热输运性质
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-23 DOI: 10.1016/j.flatc.2025.100964
Nuruzzaman Sakib , Md Rashidul Alam , Sara Neshani , Kasra Momeni
{"title":"Thermal transport properties of WSe2 monolayer with tilt grain boundaries","authors":"Nuruzzaman Sakib ,&nbsp;Md Rashidul Alam ,&nbsp;Sara Neshani ,&nbsp;Kasra Momeni","doi":"10.1016/j.flatc.2025.100964","DOIUrl":"10.1016/j.flatc.2025.100964","url":null,"abstract":"<div><div>Two-dimensional transition metal dichalcogenides like tungsten diselenide (WSe₂) have exceptional electronic, optical, and thermal properties, which are critical for advanced device applications. However, understanding the impact of grain boundaries (GBs) on thermal conductivity remains limited. This study investigates the influence of tilt GBs on thermal transport in monolayer WSe₂ through non-equilibrium molecular dynamics simulations utilizing a reactive force field (ReaxFF). We systematically examined GBs with misorientation angles ranging from 1.12° to 21.79°, corresponding to pentagon-heptagon (5|7) defect densities from 0.00595 Å<sup>−1</sup> to 0.11445 Å<sup>−1</sup>. Results show a significant reduction in thermal conductivity from 23.7 ± 0.96 W/mK for pristine WSe₂ to approximately 10.1 W/mK at the highest GB angle of 21.79°, highlighting enhanced phonon scattering. Additionally, Kapitza resistance notably increases from 0.31 m<sup>2</sup>K/GW at the lowest defect density (1.12°) to 5.08 m<sup>2</sup>K/GW at the highest defect density (21.79°), reflecting diminished heat transfer efficiency. This research underscores the critical role of GBs in modulating thermal transport in WSe₂ monolayers, providing valuable insights for thermal management in nanoscale electronic and thermoelectric devices, and paving the way for optimized device performance in next-generation flexible electronics.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100964"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358036","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
Structural design of MOF-derived NiS/V2O3/C heterogeneous nanostructures for high-performance supercapacitors 高性能超级电容器用mof衍生NiS/V2O3/C非均相纳米结构的结构设计
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-26 DOI: 10.1016/j.flatc.2025.100965
Chenxuan Xu , Junjie Yang , Wen Xu , Jie Fang , Nianhua Guan , Linjun Si , Weifeng Shen , Binbin Wen , Wanxin Mai , R. Chenna Krishna Reddy , Yongbo Wu , Xiaoming Lin
{"title":"Structural design of MOF-derived NiS/V2O3/C heterogeneous nanostructures for high-performance supercapacitors","authors":"Chenxuan Xu ,&nbsp;Junjie Yang ,&nbsp;Wen Xu ,&nbsp;Jie Fang ,&nbsp;Nianhua Guan ,&nbsp;Linjun Si ,&nbsp;Weifeng Shen ,&nbsp;Binbin Wen ,&nbsp;Wanxin Mai ,&nbsp;R. Chenna Krishna Reddy ,&nbsp;Yongbo Wu ,&nbsp;Xiaoming Lin","doi":"10.1016/j.flatc.2025.100965","DOIUrl":"10.1016/j.flatc.2025.100965","url":null,"abstract":"<div><div>With the growth in the demand for sustainable energy, the development of efficient energy storage systems is of vital importance. Supercapacitors have attracted much attention due to their fast charging and discharging characteristics, but their performance is limited by the conductivity and stability of the electrode materials. This study proposes an environmentally friendly and scalable solid-phase synthesis strategy for in-situ preparation of NiS/V<sub>2</sub>O<sub>3</sub>/C heterogeneous nanostructures for high-performance supercapacitors. NiS/V<sub>2</sub>O<sub>3</sub>/C nanomaterials were obtained through vulcanization calcination by controlling the thermal annealing process. The construction of composite material heterojunctions can form an internal electric field, which greatly promotes charge transfer. Meanwhile, the high sulfur content and diverse valence states provide abundant redox active sites. Thanks to the unique synergistic effect and structure, the NiS/V<sub>2</sub>O<sub>3</sub>/C electrode exhibits excellent electrochemical performance in the 6 M KOH electrolyte: the specific capacity reaches 996 F g<sup>−1</sup> at A current density of 1 A g<sup>−1</sup>, and the capacity retention rate after 3000 cycles was 76.2 %. This method provides a new idea for the large-scale preparation of polymetallic sulfide electrode materials and is expected to promote the development of high energy/power density energy storage devices.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100965"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413011","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
Strain-mediated rapid growth of vertically oriented 2D MoSe₂: Insights into the growth mechanism 应变介导的垂直定向二维MoSe 2的快速生长:生长机制的见解
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-11-01 Epub Date: 2025-10-23 DOI: 10.1016/j.flatc.2025.100963
Rohit Kumar , Shreya Chandravanshi , Rejaul Ali , Subhashis Gangopadhyay , Arnab Hazra
{"title":"Strain-mediated rapid growth of vertically oriented 2D MoSe₂: Insights into the growth mechanism","authors":"Rohit Kumar ,&nbsp;Shreya Chandravanshi ,&nbsp;Rejaul Ali ,&nbsp;Subhashis Gangopadhyay ,&nbsp;Arnab Hazra","doi":"10.1016/j.flatc.2025.100963","DOIUrl":"10.1016/j.flatc.2025.100963","url":null,"abstract":"<div><div>Horizontally aligned transition metal dichalcogenides (TMDCs) are well-suited for charge transport applications, while vertically oriented TMDCs are advantageous for high surface area applications such as catalysis, water splitting, and energy storage. However, the mechanism governing these structural and morphological transition remains unclear. This study provides a comprehensive growth time profile and demonstrates that parameters such as strain, distribution of grain boundaries, randomness and interlayer distance plays the critical role in driving the desirable morphological evolution. Here, we investigate the growth dynamics of MoSe₂ thin films synthesized via chemical vapor deposition (CVD), with a focus on understanding and optimizing the horizontal-to-vertical transition as a function of growth time. Scanning electron microscopy and high-resolution transmission electron microscopy (HRTEM) were used to trace the stacking and structural order, while Raman spectroscopy and photoluminescence spectroscopy (PL) were used to investigate the variation of stacking and optical order. X-ray photoelectron spectroscopy (XPS) was used to investigate the chemical environment of the films, and field-effect transistors (FET) measurements were used to assess electrical properties such as mobility and surface carrier density. To support the experimental findings, a computational multilayer stacking framework was developed to project desirable randomness in a controlled manner through the variation of interlayer distance and simulating extent of strain mediation through wide range of unstrained, compressive, tensile and even highly diffusive strain states. This model helps to establish the relationship between the interlayer distortion and randomness with the optical asymmetry, providing insights into strain-mediated widely distributed direct to indirect optical transitions. This can further serve as an optical marker especially for these highly randomized directional vertical oriented flakes. Overall, this study presents a fundamental understanding of strain-induced morphological transitions in MoSe₂ thin films and offers a framework for tracing and tuning the optical and electronic properties in anisotropic 2D materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100963"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358717","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
(002)-Textured zinc metal anode with low residual stress for stable aqueous zinc batteries (002)-具有低残余应力的织构锌金属阳极,用于稳定的水性锌电池
IF 6.2 3区 材料科学
FlatChem Pub Date : 2025-09-01 Epub Date: 2025-08-27 DOI: 10.1016/j.flatc.2025.100925
Xinyue Zhu , Zibo Chen , Jianyu Chen , Jin Zhao
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