FlatChemPub Date : 2025-11-01Epub Date: 2025-09-22DOI: 10.1016/j.flatc.2025.100943
M. Sojková , O. Pohorelec , J. Hrdá , T.E. Krajčovičová , A. Kozak , L. Pribusová Slušná , T. Ščepka , M. Hulman , M. Maťko , V. Vretenár , I. Píš , F. Bondino , M. Ťapajna , D. Gregušová
{"title":"Investigating Ohmic contacts in PtSe2-based electronics","authors":"M. Sojková , O. Pohorelec , J. Hrdá , T.E. Krajčovičová , A. Kozak , L. Pribusová Slušná , T. Ščepka , M. Hulman , M. Maťko , V. Vretenár , I. Píš , F. Bondino , M. Ťapajna , D. Gregušová","doi":"10.1016/j.flatc.2025.100943","DOIUrl":"10.1016/j.flatc.2025.100943","url":null,"abstract":"<div><div>Transition metal dichalcogenides (TMDs) hold significant promise for next-generation electronic devices due to their unique electrical and structural properties. However, the performance of TMD-based devices is strongly influenced by the nature of the metal–semiconductor contacts. Achieving low-resistance, stable, and efficient contacts remains a key challenge and a crucial factor in fully realizing the potential of TMD materials in practical applications. In particular, platinum diselenide (PtSe<sub>2</sub>) has emerged as a compelling candidate due to its tunable electronic properties and suitability for scalable synthesis. Advanced fabrication and precise contact engineering are key to minimizing interfacial degradation and maximizing device performance.</div><div>In this study, epitaxial PtSe<sub>2</sub> layers were synthesized on c-plane sapphire, providing an ideal platform for scalable device fabrication. PtSe<sub>2</sub>-based electronic structures were fabricated by a two-resist lift-off technique combined with a one-zone chalcogenization approach.</div><div>We have focused on the systematical contact engineering investigation by evaluating nickel (Ni) and platinum (Pt) as source/drain electrodes. Electrical characterization showed a threefold reduction in Pt contact resistance as compared to Ni. Correlative scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDX) confirm that Pt diffuses toward the substrate without disrupting the PtSe<sub>2</sub> layers, whereas Ni induces severe top-layer degradation.</div><div>To investigate the impact of thickness on device performance, we gradually reduced the thickness of few-layer PtSe<sub>2</sub> in Transfer Length Method (TLM) structures with Pt/Au contacts. The films maintained continuous morphology and stable electrical behavior down to 1.5 nm, while further reduction led to increased surface roughness, void formation, and a notable rise in sheet and contact resistance.</div><div>These findings highlight the critical role of contact engineering and interface quality in preserving film integrity and optimizing device performance. Moreover, the results offer a scalable fabrication pathway for integrating PtSe<sub>2</sub> and related TMDs into high-performance electronic applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100943"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119354","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-11-15DOI: 10.1016/j.flatc.2025.100970
Joanna Breczko , Diana M. Bobrowska , Adam Mizera , Patrycja Wilczewska , Katarzyna Gdula , Paweł Dubnicki , Sylwia Zięba , Agata Blacha-Grzechnik , Karolina H. Markiewicz , Kinga Cieciuch , Krzysztof Winkler
{"title":"Effect of graphene oxide and graphene quantum dots on morphology and electronic properties of composites containing poly(p-phenylene)","authors":"Joanna Breczko , Diana M. Bobrowska , Adam Mizera , Patrycja Wilczewska , Katarzyna Gdula , Paweł Dubnicki , Sylwia Zięba , Agata Blacha-Grzechnik , Karolina H. Markiewicz , Kinga Cieciuch , Krzysztof Winkler","doi":"10.1016/j.flatc.2025.100970","DOIUrl":"10.1016/j.flatc.2025.100970","url":null,"abstract":"<div><div>The study focuses on the formation of poly(<em>p</em>-phenylene) composites containing graphene oxide (PPP/GO) as well as graphene quantum dots (PPP/GQDs). The composite components were coupled via non-covalent interplanar π-π interactions. Due to differences in the size of the carbon components, both studied composites exhibit different morphology. In the case of PPP/GO, the polymer is deposited on the surface of the graphene sheets forming agglomerates of irregular plates. In the PPP/GQDs composite, zero-dimensional dots are uniformly distributed in polymer spheres with a diameter of approximately 45–50 nm. The presence of carbon nanoparticles in the composite also results in the significance increase in the surface area and porosity of the synthesized materials. An in-depth study of the electron structure based on computational calculations, as well as voltammetric and spectroscopic measurements, enabled a comparison of the energy gap values and the position of the HOMO and LUMO levels of PPP, PPP/GO, and PPP/GQDs. The presence of carbon nanostructures in the composite leads to the decrease of the HOMO-LUMO energy gap. The innovative results of this work confirm that the size of flat carbon nanostructures (GO vs. GQDs) significantly affects the morphology, dispersion homogeneity, and optoelectronic properties of PPP composites, which results from non-covalent π-π interactions between the components.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100970"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145568253","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}
{"title":"Multicomponent nanostructured catalyst of rGO-Bi-V2O5 for photocatalytic degradation of methylene blue and supercapacitor applications","authors":"Sahil S. Magdum , Gowthami Palanisamy , Karuppaiah Selvakumar , Sadhasivam Thangarasu , Tae Hwan Oh","doi":"10.1016/j.flatc.2025.100962","DOIUrl":"10.1016/j.flatc.2025.100962","url":null,"abstract":"<div><div>The advancement of multifunctional nanomaterials aimed at environmental remediation and energy storage presents a significant challenge in the field of sustainable modern technologies. This research work represents the synthesis of a novel and well interconnected ternary nanostructure of two-dimensional layered reduced graphene oxide (rGO) with bismuth (Bi) and nanorod-like vanadium oxide (V<sub>2</sub>O<sub>5</sub>) for methylene blue (MB) degradation and supercapacitor applications. The effective photocatalyst has been identified by preparing various arrays, adjusting the Bi content, and incorporating rGO with V<sub>2</sub>O<sub>5</sub> system as Bi-V<sub>2</sub>O<sub>5</sub> (BiV) and rGO-Bi-V<sub>2</sub>O<sub>5</sub> (rGBiV) catalysts. The as-developed materials were successfully verified through various sophisticated structural and microstructural analyses. The morphological investigation demonstrated that rGO are in adherence with Bi and V<sub>2</sub>O<sub>5</sub>. The utilization of Bi and rGO with V<sub>2</sub>O<sub>5</sub> resulted in decrease in the bandgap and enhanced charge separation. The rGBiV-1 composite demonstrated remarkable photocatalytic performance, attaining a 96.72 % degradation of MB within 90 min under visible-light irradiation. The •OH radical is shown to be essential in the photodegradation process. It is significant that •O<sub>2</sub><sup>−</sup> radical also contributed to the improvement of photocatalytic activity. Electrochemical measurements demonstrated a notable improvement in capacitive behavior, with rGBiV-1 achieving a specific capacitance of 475 F g<sup>−1</sup>. This enhancement is linked to the synergistic effects of high surface area, effective electron transport through rGO, and the presence of redox-active sites (V<sup>5+</sup>/V<sup>4+</sup>). The findings demonstrate the promise of rGO-Bi-V<sub>2</sub>O<sub>5</sub> nanohybrids as versatile materials for combined wastewater treatment and electrochemical energy storage applications.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100962"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358084","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-09-05DOI: 10.1016/j.flatc.2025.100929
Adriana C. da Silva , Thiago S. da Sena , Igor G.S. Oliveira , Fausto E. Bimbi Junior , Oswaldo C. Junior , Robson S. Souto , Michael M. Baruch , João P.P. Encide , Kathia M. Honorio , Marcos R.V. Lanza , Adriana E. de Carvalho , Willyam R.P. Barros
{"title":"Electrochemical determination of Diuron in Brazilian crops: f-MWCNT@Chi-AgNPs nanocomposite-modified screen-printed electrode for food safety monitoring","authors":"Adriana C. da Silva , Thiago S. da Sena , Igor G.S. Oliveira , Fausto E. Bimbi Junior , Oswaldo C. Junior , Robson S. Souto , Michael M. Baruch , João P.P. Encide , Kathia M. Honorio , Marcos R.V. Lanza , Adriana E. de Carvalho , Willyam R.P. Barros","doi":"10.1016/j.flatc.2025.100929","DOIUrl":"10.1016/j.flatc.2025.100929","url":null,"abstract":"<div><div>In this study, an inexpensive, easy-to-make screen-printed electrochemical (SPE) sensor was developed and applied for diuron (DIU) detection in Brazilian crops. The SPE was modified with a hybrid nanocomposite, which consisted of functionalized carbon nanotubes, chitosan and silver nanoparticles (<em>f-</em>MWCNT@Chi-AgNPs). The AgNPs were obtained through a simple and rapid green synthesis using lemon leaf extract as a reducing agent. The sensor exhibits irreversible electrochemical behavior with a diffusion-controlled response. The SPE-modified sensor when applied for DIU detection, was obtained a wide linear range (0.02–50.0 μM), a low LOD (0.005 μM), and a high sensitivity. Experimental variables, such as pH and scan rate were optimized, with pH 7.0 identified as the optimal medium. The modified SPE sensor demonstrated excellent selectivity against common interferents, operational stability, and no memory effect. The DFT analysis, from the M06-2X and B3LYP functionals, and the Def2-SVP basis set, reveals that the DIU molecule is a moderate electrophile. These data suggest the SPE/<em>f-</em>MWCNT@Chi-AgNPs are both highly reactive and stable for DIU oxidation. Its practical applicability was confirmed through the analysis of real samples (orange fruit, orange juice, tangerine, sugarcane and tomato), where recovery rates between 100.09 and 110.61 % were obtained, with RSD below 4.0 %. The combination of conductive materials with porous structure and sustainable synthesis yielded an efficient analytical platform. The proposed sensor can be employed as a viable, rapid and effective alternative tool for monitoring pesticide residues in complex matrices, with strong potential for application in environmental and food quality analysis.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100929"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019314","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-03DOI: 10.1016/j.flatc.2025.100947
Malathi Arumugam , N. Subha , A. Ravi Sankar , Thillai Sivakumar Natarajan , Hsi-Hsien Yang
{"title":"Layered double hydroxide materials based next-generation photocatalytic system for CO2 reduction and H2 production applications","authors":"Malathi Arumugam , N. Subha , A. Ravi Sankar , Thillai Sivakumar Natarajan , Hsi-Hsien Yang","doi":"10.1016/j.flatc.2025.100947","DOIUrl":"10.1016/j.flatc.2025.100947","url":null,"abstract":"<div><div>Photocatalytic technology is advancing rapidly, offering enormous potential for fostering a sustainable future. Its ability to enable clean energy production through eco-friendly applications has made it a key component of global sustainability efforts. Layered double hydroxides (LDHs) have emerged as promising photocatalysts owing to their unique structural, electronic, and chemical properties. These qualities place LDHs at the forefront of addressing emerging energy and environmental challenges, further strengthening their importance in photocatalytic applications. The various compositions of LDHs, achieved through the selective variation of metal cations (M<sup>2+</sup> and M<sup>3+</sup>), enable precise bandgap engineering to optimize light absorption. Furthermore, LDHs exhibit remarkable stability under ultraviolet and visible light, ensuring their durability over time. Their light-harvesting and catalytic activities are further enhanced when integrated with other materials, thereby expanding their application scope. These synergistic properties enable LDHs to excel in photocatalytic processes aimed at clean and sustainable energy generation. This review emphasizes LDH-based heterostructures for photocatalytic energy conversion, particularly in hydrogen (H<sub>2</sub>) production and carbon dioxide (CO<sub>2</sub>) reduction, highlighting their considerable potential to drive the development of a durable LDH photocatalytic system for future sustainable energy solutions is also presented.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100947"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263268","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-09-04DOI: 10.1016/j.flatc.2025.100927
Nisa Nashrah , Yujun Sheng , Min Jun Kim , Young Gun Ko
{"title":"Uniform formation of distinctive BaTiO3/PVA on TiO2 responsible for enhanced photocatalytic reduction in 4-nitrophenol","authors":"Nisa Nashrah , Yujun Sheng , Min Jun Kim , Young Gun Ko","doi":"10.1016/j.flatc.2025.100927","DOIUrl":"10.1016/j.flatc.2025.100927","url":null,"abstract":"<div><div>This study investigated the uniform deposition of BaTiO<sub>3</sub> (BTO) formed on TiO<sub>2</sub> layer to attain photocatalytic reduction of 4-nitrophenol. To this end, a two-step method consisting of plasma electrolysis in the alkaline electrolyte and spin coating in the BTO/polyvinyl alcohol (PVA) recipe where BTO appeared to be coordinated readily with PVA was proposed. Since PVA would played important roles in preventing the local agglomeration of BTO as polymeric capping agent as well as facilitating the stable attachment of BTO on porous TiO<sub>2</sub> layer as supporting platform, the BTO/PVA@TiO<sub>2</sub> catalyst would exhibit the excellent surface reactivity for catalytic reduction from 4-nitrophenol to 4-aminophenol, achieving the efficiency of 90 % in 10 min under the visible light irradiation. It is also found that the apparent rate constant of BTO/PVA@TiO<sub>2</sub> sample was higher by one-order than that of porous TiO<sub>2</sub> counterpart. This finding was attributed mainly to the improvement in photo-electrochemical behavior and charge transfer between active BTO particles and TiO<sub>2</sub>.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100927"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027373","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-15DOI: 10.1016/j.flatc.2025.100955
Rachel Rui Xia Lim , Alessandro Carvani , Adriano Ambrosi , Richard D. Webster , Alessandra Bonanni
{"title":"Graphdiyne-enhanced impedimetric detection of virus-induced infections","authors":"Rachel Rui Xia Lim , Alessandro Carvani , Adriano Ambrosi , Richard D. Webster , Alessandra Bonanni","doi":"10.1016/j.flatc.2025.100955","DOIUrl":"10.1016/j.flatc.2025.100955","url":null,"abstract":"<div><div>Accurate detection, scaled-up testing and on-site monitoring are key attributes in effective and efficient management of pandemic outbreaks. In response to the urgent need for rapid and reliable detection of viral infections, this study investigates the use of graphdiyne—a novel two-dimensional carbon allotrope—as a platform for label-free electrochemical biosensing.</div><div>The RNA-dependent RNA polymerase (RdRp) fragment, immobilized on the graphdiyne surface, served as the probe for capturing the target gene specific to SARS-CoV-2. This biorecognition event was subsequently detected through electrochemical impedance spectroscopy.</div><div>The graphdiyne material demonstrated a strong adsorption ability with DNA molecules, which enabled a high selectivity in distinguishing the target sequence from mutant and non-complementary sequences, making the resulting genosensor applicable even when the detected virus undergoes mutations over time. A limit of detection in the nanomolar range was achieved, with a linear dynamic range of the response between 10<sup>−9</sup> M to 10<sup>−5</sup> M.</div><div>Coupled with the disposable printed electrodes that are portable and miniaturized sensing platforms, our developed approach can enable label-free detection to be mass-performed outside of routine laboratories.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100955"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358719","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-09-16DOI: 10.1016/j.flatc.2025.100939
Maciej J. Szary
{"title":"Rational design of defect-engineered TMDs: Unlocking active sites for selective capture and catalysis in MoS2, MoSe2, and MoTe2","authors":"Maciej J. Szary","doi":"10.1016/j.flatc.2025.100939","DOIUrl":"10.1016/j.flatc.2025.100939","url":null,"abstract":"<div><div>Molybdenum-based transition-metal dichalcogenides (TMDs) are promising catalysts for key electro- and photochemical reactions, including CO<sub>2</sub> reduction (CRR), N<sub>2</sub> reduction (NRR), and hydrogen evolution (HER). However, their catalytic performance is inherently limited by the low reactivity of their basal planes, necessitating structural modifications to expose chemically active transition-metal sites. Here, we provide fundamental insights into chalcogen-vacancy engineering in Mo-based TMDs. Using large-scale density functional theory (DFT) computations, including NVT ab initio molecular dynamics (AIMD) and density functional perturbation theory (DFPT), we examine 400 adsorption cases across three TMD monolayers — MoS<sub>2</sub>, MoSe<sub>2</sub>, and MoTe<sub>2</sub> — considering both pristine and defective structures with three chalcogen-vacancy sizes, as well as six molecular species (N<sub>2</sub>, O<sub>2</sub>, NO, CO, CO<sub>2</sub>, and NO<sub>2</sub>). Our findings reveal that vacancy effects are highly selective, with adsorption enhancements varying significantly by molecular species. While larger vacancies generally strengthen adsorption across all TMDs, they also amplify intrinsic physicochemical differences. MoTe<sub>2</sub> exhibits the highest binding energies and molecular deformation, followed by MoSe<sub>2</sub> and MoS<sub>2</sub>. Notably, vacancy-engineered TMDs demonstrate promising adsorption for N<sub>2</sub> and CO<sub>2</sub>, with activation-to-binding ratios surpassing many conventional catalysts. By strategically selecting TMD compositions and tailoring vacancy sizes, adsorption strength and molecular activation can be finely optimized, leading to distinct thermodynamic favorability. Our results show defective MoS<sub>2</sub> favors CO<sub>2</sub> capture and activation for CRR but suppresses NRR and modestly limits HER, whereas MoTe<sub>2</sub> suppresses HER while promoting both NRR and CRR. These insights establish chalcogen selection as critical parameter in defect engineering, paving the way for rational design of advanced catalytic materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100939"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097048","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}
FlatChemPub Date : 2025-11-01Epub Date: 2025-09-06DOI: 10.1016/j.flatc.2025.100930
Amutha Subramani , Borna Radatović , Jan Luxa , Filipa M. Oliveira , Kalyan Jyoti Sarkar , Chenrayan Senthil , Stefanos Mourdikoudis , David Sedmidubsky , Zdeněk Sofer
{"title":"Thickness- tuned band engineering for efficient photodetection in 2D CuInP2Se6","authors":"Amutha Subramani , Borna Radatović , Jan Luxa , Filipa M. Oliveira , Kalyan Jyoti Sarkar , Chenrayan Senthil , Stefanos Mourdikoudis , David Sedmidubsky , Zdeněk Sofer","doi":"10.1016/j.flatc.2025.100930","DOIUrl":"10.1016/j.flatc.2025.100930","url":null,"abstract":"<div><div>The combination of unique narrow bandgap electronic and optical properties, along with van der Waals surfaces in 2D materials, makes this class of materials highly promising for advancing photodetectors. In this study, we employ first-principles calculations to investigate the structural, electronic, and vibrational properties of the 2D CuInP₂Se₆ van der Waals material. Theoretical studies reveal phase-dependent properties in CuInP₂Se₆, including bulk paraelectric, bulk ferroelectric, and monolayer paraelectric phases. Notably, the material exhibits a tunable electronic band structure through phase transitions and layer thickness modulation. Among the explored phases, the paraelectric monolayer demonstrates a strong second harmonic generation response while also displaying lower thermal conductivity, making it suitable for nonlinear optical applications. The theoretically predicted optical properties were validated experimentally by synthesizing CuInP₂Se₆ using multi-step solid-state and chemical vapor transport reactions. A fabricated photodevice, configured as Au/CuInP₂Se₆/SiO₂ via standard optical lithography, exhibited UV–visible photodetection with a maximum photoresponsivity at 405 nm. Similarly, a modelled photodevice with the same configuration also demonstrated photodetection, attaining a maximum photoresponsivity at 405 nm. Furthermore, encapsulating silicene is expected to further modulate the electronic band structure and enhance photodetection performance, paving the way for future advancements in integrated UV–Vis-NIR optoelectronic devices. The significant improvement in photoconductive gain in the NIR range is attributed to an efficient charge transport pathway and interfacial encapsulation.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100930"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097047","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}
{"title":"Defect passivation and optical tuning of laser-ablated MoS2/MoO3 and WS2/WO3 hybrid structures under different chemical environments","authors":"Bhasha Sathyan , Vishnu Raj , Prathap Chockalingam , Jobin Cyriac","doi":"10.1016/j.flatc.2025.100968","DOIUrl":"10.1016/j.flatc.2025.100968","url":null,"abstract":"<div><div>Two-dimensional transition metal dichalcogenides (TMDs) are considered an attractive candidate for future optoelectronic devices due to their direct bandgap and strong light-matter interaction. However, the synthesis methods and chemical environment, especially the choice of solvent, play a key role in tuning the optical properties of TMDs by influencing the defect formation and structural modifications. In this study, we present laser-assisted synthesis and a comparative study of MoS<sub>2</sub> and WS<sub>2</sub> nanomaterials formed under three different chemical environments, such as deionized water (neutral), NaOH (basic) solution, and concentrated H<sub>2</sub>SO<sub>4</sub> (acidic) solution. We further demonstrated that the chemical environment during the synthesis has a critical effect on the degree of defect formation and tuning of their fluorescence properties. We found that MoS<sub>2</sub> and WS<sub>2</sub> nanomaterials formed from concentrated H<sub>2</sub>SO<sub>4</sub> show strong fluorescence due to defect passivation, and also, there is a phase transition from 2H to 1 T phase formed under NaOH solution. Hence, this work highlights the importance of solvent conditions in engineering the optical characteristics of TMDs via the laser ablation route, offering a valuable route to broaden their practical application in the field of optoelectronic devices.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100968"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145568254","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}