FlatChem最新文献_第6页

Synergistic advancements: Exploring MXene/graphene oxide and MXene/reduced graphene oxide composites for next-generation applications 协同进步：探索用于下一代应用的 MXene/氧化石墨烯和 MXene/还原氧化石墨烯复合材料

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-10 DOI: 10.1016/j.flatc.2024.100759

Siavash Iravani , Atefeh Zarepour , Ehsan Nazarzadeh Zare , Pooyan Makvandi , Arezoo Khosravi , Ali Zarrabi

{"title":"Synergistic advancements: Exploring MXene/graphene oxide and MXene/reduced graphene oxide composites for next-generation applications","authors":"Siavash Iravani , Atefeh Zarepour , Ehsan Nazarzadeh Zare , Pooyan Makvandi , Arezoo Khosravi , Ali Zarrabi","doi":"10.1016/j.flatc.2024.100759","DOIUrl":"10.1016/j.flatc.2024.100759","url":null,"abstract":"<div><div>The exploration of MXene-graphene oxide (GO) and MXene-reduced GO (rGO) composites represents a significant leap forward in the development of advanced materials for next-generation applications. This review delves into the synergistic properties of MXene and GO, highlighting their combined potential to develop various technological fields. MXenes, with their unique two-dimensional structure and exceptional electrical conductivity, coupled with the remarkable mechanical strength and flexibility of GO, create composites with enhanced performance characteristics. These materials exhibit superior electrochemical properties, making them ideal candidates for energy storage devices such as supercapacitors and batteries. Additionally, their excellent thermal and mechanical properties open new avenues in the fields of electronics, sensors, and catalysis. This review seeks to explore the specific areas where MXene-(r)GO composites demonstrate exceptional promise, such as energy storage, sensing technologies, electromagnetic interference shielding, visible/infrared camouflages, and advanced materials development. These composites offer a promising pathway to address the growing demands for high-performance, multifunctional materials in various industrial sectors. This review aims to provide insights into the fundamental mechanisms driving the enhanced properties of MXene-(r)GO composites and to inspire further research and development in this exciting area of material science.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100759"},"PeriodicalIF":5.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418690","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

Photocatalytic performance of acid exfoliated graphitic carbon nitride (g-C3N4) for the degradation of dye under direct sunlight 酸性剥落氮化石墨（g-C3N4）在阳光直射下降解染料的光催化性能

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-10 DOI: 10.1016/j.flatc.2024.100762

H.M. Solayman , Noor Yahida Yahya , Kah Hon Leong , Md. Kamal Hossain , Kang Kang , Lan Ching Sim , Kyung-Duk Zoh , Md. Badiuzzaman Khan , Azrina Abd Aziz

{"title":"Photocatalytic performance of acid exfoliated graphitic carbon nitride (g-C3N4) for the degradation of dye under direct sunlight","authors":"H.M. Solayman , Noor Yahida Yahya , Kah Hon Leong , Md. Kamal Hossain , Kang Kang , Lan Ching Sim , Kyung-Duk Zoh , Md. Badiuzzaman Khan , Azrina Abd Aziz","doi":"10.1016/j.flatc.2024.100762","DOIUrl":"10.1016/j.flatc.2024.100762","url":null,"abstract":"<div><div>Graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) is one of the most promising semiconductor materials applied in photocatalytic applications. However, the photocatalytic performance of bulk g-C<sub>3</sub>N<sub>4</sub> was not satisfactory due to poor visible-light absorption, quick recombination, and low amount of active interfacial reaction sites. In this study, we have modified the bulk g-C<sub>3</sub>N<sub>4</sub> by acid (nitric, hydrochloric and sulphuric) exfoliation to enhance the photocatalytic degradation of methylene blue (MB) and methyl orange (MO) dye. Sulfuric acid-treated g-C<sub>3</sub>N<sub>4</sub> photocatalyst (CN-S) presented significant photocatalytic degradation toward both MO and MB compared to the pristine g-C<sub>3</sub>N<sub>4</sub>. The photocatalytic degradation performance for CN-S is found to be ∼ 96.89 % for MO and ∼ 93.12 % for MB under 150 min under direct sunlight irradiation. Free radical scavenging tests showed the superoxide radicals (•O<sub>2</sub><sup>−</sup>) were mostly responsible to the photodegradation of dyes while comparing to hydroxyl radicals (•OH) and photo-induced holes (h<sup>+</sup>). Which is attributed by Photoluminescence (PL) and time resolved PL emission spectra indicated a low electron-hole pair’s (e<sup>−</sup>/h<sup>+</sup>) recombination and longer charge-carrier lifetime. Moreover, the CN-S showed excellent recyclability for up to 5 runs with a slight reduction of degradation performance from 96.89 to 90.55 % for MO and 93.12 % to 88.84 % for MB dye, respectively. Ultimately, the results demonstrated that CN-S was a superb photocatalyst for the elimination and deterioration of MB and MO dyes from wastewater.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100762"},"PeriodicalIF":5.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418147","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

Sustainable vertically-oriented graphene-electrode memristors for neuromorphic applications 用于神经形态应用的可持续垂直导向石墨烯电极忆阻器

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-09 DOI: 10.1016/j.flatc.2024.100755

Ben Walters, Michael S.A. Kamel, Mohan V. Jacob, Mostafa Rahimi Azghadi

{"title":"Sustainable vertically-oriented graphene-electrode memristors for neuromorphic applications","authors":"Ben Walters, Michael S.A. Kamel, Mohan V. Jacob, Mostafa Rahimi Azghadi","doi":"10.1016/j.flatc.2024.100755","DOIUrl":"10.1016/j.flatc.2024.100755","url":null,"abstract":"<div><div>Neuromorphic computing, an innovative field in electronic and computing engineering, aims to enhance computing paradigms by simulating brain processes. Memristors, a two-terminal device, hold promise in revolutionising neuromorphic architectures by circumventing the Von-Neumann bottleneck. The performance and applicability of memristors heavily rely on the materials and fabrication processes employed. Graphene exhibits unique properties that can be leveraged in memristor design. Moreover, graphene stands out as a material with the potential for large-scale, sustainable production through Plasma Enhanced Chemical Vapour Deposition (PECVD). Notably, the properties of graphene-electrode memristors vary with minor structural differences induced by different PECVD temperatures. This paper reports the synthesis of graphene electrodes by time- and cost-effective PECVD from a sustainable plant extract for memristors. In addition, this paper delves into investigating how these structural variations impact the properties of graphene memristors and explores their potential exploitation in neuromorphic applications for implementing the well-known Spike Timing Dependent Plasticity (STDP) learning mechanism. The paper also utilises the developed STDP learning to perform an unsupervised spike-based pattern classification task.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100755"},"PeriodicalIF":5.9,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418146","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

Development of 2D Ir-DMG nanosheets as a colorimetric sensor probe for Ni (II) sensing and a highly sensitive, reliable, and portable colorimetric sensor device for environmental analysis 开发二维 Ir-DMG 纳米片作为镍 (II) 检测的比色传感器探针，以及用于环境分析的高灵敏度、可靠和便携式比色传感器装置

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-09 DOI: 10.1016/j.flatc.2024.100763

Hemal Weerasinghe , Maheshika Kumarihamy , Hui-Fen Wu

{"title":"Development of 2D Ir-DMG nanosheets as a colorimetric sensor probe for Ni (II) sensing and a highly sensitive, reliable, and portable colorimetric sensor device for environmental analysis","authors":"Hemal Weerasinghe , Maheshika Kumarihamy , Hui-Fen Wu","doi":"10.1016/j.flatc.2024.100763","DOIUrl":"10.1016/j.flatc.2024.100763","url":null,"abstract":"<div><div>The era of nanomaterials made a revolutionary change in colorimetric sensing with ultra-high sensitivity, improved reactivity, and enhanced photoactivity. The first-ever novel 2D metal–organic nanosheets were synthesized using IrCl<sub>3</sub> and Dimethylglyoxime (DMG) by probe ultrasonication (PUS) followed by a solvothermal wet-chemical approach. This material has shown a rapid color change from yellow to crimson red with Ni (II) after the formation of complex. The UV–visible absorption spectra are the conventional methodology for colorimetric sensors and here, it was given a perfect linear relationship with an R<sup>2</sup> of 0.99 and an LOD of 1.60 µM (0.1 ppm). The average calculated molar extinction coefficient for this system was 1889.30 M<sup>−1</sup> cm<sup>−1</sup>. This is comparatively high absorptivity value. In addition, a novel Arduino-based colorimetric sensor device and corresponding software were developed under the name of “Chrom Metrics”. This Arduino device is unique since it can sense all wavelengths and the combined RGB delta E values. Therefore, it can provide more information/rationale for colorimetry than other devices/methods. The same Ir-DMG & Ni (II) system showed a perfect linear relationship with an R<sup>2</sup> of 0.98 and a LOD of 0.85 µM (0.05 ppm) by the data obtained from this sensor device. Thus, this new device is easier and more accurate, highly efficient, rapid, highly selective, and sensitive.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100763"},"PeriodicalIF":5.9,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142527773","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

Boosting supercapacitive performance of SnS2 via trace Pb doping 通过掺杂微量铅提高 SnS2 的超级电容性能

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-05 DOI: 10.1016/j.flatc.2024.100756

Yuming Dai , Zhendong Hao , Yuhan Zeng , Guochang Li , Zhen Shen , Xingyu Zhu , Yuqian Xu , Xue Wang , Fangyu Zhu , Lijun Yang , Xizhang Wang , Qiang Wu , Zheng Hu

{"title":"Boosting supercapacitive performance of SnS2 via trace Pb doping","authors":"Yuming Dai , Zhendong Hao , Yuhan Zeng , Guochang Li , Zhen Shen , Xingyu Zhu , Yuqian Xu , Xue Wang , Fangyu Zhu , Lijun Yang , Xizhang Wang , Qiang Wu , Zheng Hu","doi":"10.1016/j.flatc.2024.100756","DOIUrl":"10.1016/j.flatc.2024.100756","url":null,"abstract":"<div><div>High-performance electrode materials are crucial for enhancing the performance of supercapacitors. Among various candidates, pseudo-capacitive SnS<sub>2</sub> is a promising one due to its high specific capacitance, earth-abundance, nontoxicity as well as low-cost. However, its actual electrochemical performance is restricted owing to the poor intrinsic conductivity and current fabrication processes on improving the conductivity are usually complicated. In this study, based on first-principles calculations, Pb doping is introduced to enhance the conductivity of SnS<sub>2</sub>. Pb-doped SnS<sub>2</sub> nanosheets are synthesized via a simple one-step hydrothermal method. With trace Pb doping (Pb<sub>o</sub>.<sub>o1</sub>SnS<sub>2</sub>), an impressive 4-order-of-magnitude increase in conductivity was achieved compared to pristine SnS<sub>2</sub>. Furthermore, Pb-doped SnS<sub>2</sub> nanosheets exhibit a superior mass-specific capacitance of 533.7 F g<sup>−1</sup> at 50 mV s<sup>−1</sup> and excellent long-term capacitance retention of 90.2 % over 100,000 cycles at 5 A g<sup>−1</sup>. This study presents a simple and effective approach to enhancing the supercapacitor performance of SnS<sub>2</sub> and advances the practical applications of electrochemical energy storage devices based on 2D materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100756"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418178","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

Fluorinated reduced graphene oxide nanosheets for symmetric supercapacitor device performance 实现对称超级电容器器件性能的氟化还原氧化石墨烯纳米片

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-05 DOI: 10.1016/j.flatc.2024.100757

Vediyappan Thirumal , Bathula Babu , Planisamy Rajkumar , Jin-Ho Kim , Kisoo Yoo

{"title":"Fluorinated reduced graphene oxide nanosheets for symmetric supercapacitor device performance","authors":"Vediyappan Thirumal , Bathula Babu , Planisamy Rajkumar , Jin-Ho Kim , Kisoo Yoo","doi":"10.1016/j.flatc.2024.100757","DOIUrl":"10.1016/j.flatc.2024.100757","url":null,"abstract":"<div><div>This study explores the potential of using spent lithium-ion battery anodes (graphite) for fabricating symmetric energy devices through a simple regeneration process. Specifically, the use of fluorine-doped reduced graphene oxide (RGO) nanosheets derived from waste batteries as the basis for a symmetric supercapacitor (SC) device is investigated. To enhance the electrochemical energy storage capabilities, a facile hydrothermal technique is employed to synthesize fluorinated graphene. Fluorination of the graphene sheets is successfully realized, as confirmed by the presence of boron with a 2.94 at.% fluorine-doped level, according to the Energy dispersive spectroscopy (EDS) spectrum analysis. Electrochemical analysis of the F-RGO electrode performance consistent with electric double-layer capacitance. Moreover, with a three-electrode system, the F-RGO electrode achieves a maximum specific capacitance of 207F/g under a current density of 1 A/g. A two-electrode symmetric device employing F-RGO exhibits a specific capacitance of 54F/g at 1 A/g. Furthermore, electrochemical impedance measurements demonstrate low charge transfer resistance (Rct) values, specifically 8.63 Ω for F-RGO, signifying improved electrochemical performance. Thus, fluorine atomic doping in RGO nanosheets contributes to the improvements of the specific capacitance and overall superior electrochemical performance of F-RGO, and F-RGO is a highly electrochemical active material for high-performance energy storage electrodes for SCs.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100757"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418691","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

Investigating the role of graphene in the formation and stability of β-phase antimonene islands 研究石墨烯在β相锑岛的形成和稳定性中的作用

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-10-05 DOI: 10.1016/j.flatc.2024.100754

M. Guadalupe Gómez-Farfán , L. Avilés-Félix , Esteban D. Cantero , Esteban A. Sánchez , Laura N. Serkovic-Loli

{"title":"Investigating the role of graphene in the formation and stability of β-phase antimonene islands","authors":"M. Guadalupe Gómez-Farfán , L. Avilés-Félix , Esteban D. Cantero , Esteban A. Sánchez , Laura N. Serkovic-Loli","doi":"10.1016/j.flatc.2024.100754","DOIUrl":"10.1016/j.flatc.2024.100754","url":null,"abstract":"<div><div>Two-dimensional materials have shown tremendous potential for various technological applications. Particularly, 2D antimony exhibits high applicability in electronics, sensors, and batteries. This 2D material, known as antimonene, presents two stable phases: <span><math><mrow><mi>α</mi></mrow></math></span> (rectangular lattice) and <span><math><mrow><mi>β</mi></mrow></math></span> (honeycomb lattice), whose formation depends on the substrate where antimony is deposited. In this study, we investigated the growth of antimonene islands on graphene, forming an antimonene/graphene heterostructure. To demonstrate the significance of graphene in the synthesis of antimonene, we also studied antimony deposited on a bare copper foil similar to the one used for the graphene substrate. Antimony deposition exhibits the <span><math><mrow><mi>β</mi></mrow></math></span> phase antimonene structure when deposited on top of monolayer graphene, but not when deposited on a bare copper foil, nor on top of multilayer graphene. Additionally, we investigated the stability of the heterostructure after exposure to air. Pure antimony islands are formed when evaporated in high vacuum on top of graphene and copper substrates, and antimony atoms oxidize upon exposure to air. After annealing the sample in ultra-high-vacuum at temperatures lower than 200 <span><math><mrow><mi>°</mi></mrow></math></span>C, more than half of pure antimony is recovered and almost all oxidized antimony is desorbed from the graphene substrate. In contrast, almost none of the oxidized antimony is desorbed from the bare copper substrate, highlighting the key role of the heterostructure on the formation and preservation of the physical and chemical properties of the deposited 2D material.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100754"},"PeriodicalIF":5.9,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418179","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

Exploring the potential of α-Ge(1 1 1) monolayer in photocatalytic water splitting for hydrogen production 探索α-Ge（1 1 1）单层在光催化水分离制氢中的潜力

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-09-29 DOI: 10.1016/j.flatc.2024.100753

Vinícius G. Garcia , Guilherme J. Inacio , Luciano F. Filho , Luíza T. Pacheco , Fernando N.N. Pansini , Marcos G. Menezes , Wendel S. Paz

{"title":"Exploring the potential of α-Ge(1 1 1) monolayer in photocatalytic water splitting for hydrogen production","authors":"Vinícius G. Garcia , Guilherme J. Inacio , Luciano F. Filho , Luíza T. Pacheco , Fernando N.N. Pansini , Marcos G. Menezes , Wendel S. Paz","doi":"10.1016/j.flatc.2024.100753","DOIUrl":"10.1016/j.flatc.2024.100753","url":null,"abstract":"<div><div>In this study, the structural, electronic, and optical properties of 2D α-Ge(1 1 1) are investigated using Density Functional Theory (DFT) calculations, complemented by many-body perturbation theory calculations based on the GW/BSE approach. The thermodynamic stability of this material is assessed through <em>ab initio</em> molecular dynamics simulations (AIMD), and their dynamic stability is confirmed via phonon dispersion calculations. The analysis of the optical properties reveals significant absorption peaks in both visible and ultraviolet regions, with an absorption edge at 47 eV (1<em>.</em>87 eV without excitonic effects). The band edges are well-aligned with water redox potentials at neutral pH, making them suitable for water-splitting applications. For other pH levels, we find the process may be feasible through the participation of different excited states populated by light absorption. Remarkably, the α-Ge(1 1 1) monolayer demonstrates a predicted solar-to-hydrogen conversion efficiency of 34.80 %, outperforming many other two-dimensional materials. These findings position the α-Ge(1 1 1) monolayer as a promising candidate for developing efficient photocatalytic materials for hydrogen generation via overall water splitting.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100753"},"PeriodicalIF":5.9,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418177","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

Exploring phosphorene-protein interactions: An integrated computational and spectroscopic investigation 探索磷烯与蛋白质的相互作用：计算与光谱学综合研究

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-09-26 DOI: 10.1016/j.flatc.2024.100752

Silvia Rinaldi , Amalia Malina Grigoras , Maria Caporali , Manuel Serrano-Ruiz , Maurizio Peruzzini , Andrea Ienco , Loredana Latterini

{"title":"Exploring phosphorene-protein interactions: An integrated computational and spectroscopic investigation","authors":"Silvia Rinaldi , Amalia Malina Grigoras , Maria Caporali , Manuel Serrano-Ruiz , Maurizio Peruzzini , Andrea Ienco , Loredana Latterini","doi":"10.1016/j.flatc.2024.100752","DOIUrl":"10.1016/j.flatc.2024.100752","url":null,"abstract":"<div><div>Among 2D materials, exfoliated black phosphorus (or phosphorene) shows great promise for applications in biological domains. However, despite its performances, little is known about the intricate and dynamic interactions that this material can form with proteins. This increases the risk of off-target effects and adds complexity in designing phosphorene-based devices with tailored properties. In this study, we present a straightforward and easily implementable pipeline that integrates spectroscopies with Molecular Dynamics simulations to explore the dynamic interplay between phosphorene and a protein system. Using lysozyme as a deeply investigated reference protein, we employed two theoretical protein models with unique secondary structure folds to increase the descriptive power of the approach and disentangle the complexity and variability of experimental data into a few primary drivers of protein-phosphorene interactions. Our results show that the 2D material does not significantly alter the protein structure, but the observed conformational changes are influenced by the secondary fold. Indeed, while the beta structure interacts mainly through unfolded regions, the alpha fold favours phosphorene binding through structured clusters of residues, leading to more significant structural and dynamic perturbations. By utilizing this pipeline, we have gained valuable insights into the molecular recognition mechanism of phosphorene, enhancing the development of improved phosphorene-based devices. In addition, our methodology offers potential for further applications in biomedicine to characterise interfaces between other 2D (nano)materials and biological entities.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"48 ","pages":"Article 100752"},"PeriodicalIF":5.9,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142418693","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

Effect of interlayer stacking arrangement on the dielectric properties of hexagonal boron nitride thin films 层间堆叠排列对六方氮化硼薄膜介电性能的影响

IF 5.9 3区材料科学

FlatChem Pub Date : 2024-09-26 DOI: 10.1016/j.flatc.2024.100751

Mina Maruyama, Susumu Okada

引用次数: 0