2D Materials最新文献

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Precursor-dependent optical and structural properties of eleven NIR-emissive graphene quantum dots for bioimaging applications. 用于生物成像应用的11种nir发射石墨烯量子点的前驱体依赖光学和结构特性。
IF 4.3 3区 材料科学
2D Materials Pub Date : 2026-06-01 Epub Date: 2026-03-13 DOI: 10.1088/2053-1583/ae4e41
Diya Vashani, Himish Paul, Steven Nguyen, Ugur C Topkiran, Alina R Valimukhametova, Abby Dorsky, Olivia Sottile, Lal Durmaz, Roberto Gonzalez-Rodriguez, Anton V Naumov
{"title":"Precursor-dependent optical and structural properties of eleven NIR-emissive graphene quantum dots for bioimaging applications.","authors":"Diya Vashani, Himish Paul, Steven Nguyen, Ugur C Topkiran, Alina R Valimukhametova, Abby Dorsky, Olivia Sottile, Lal Durmaz, Roberto Gonzalez-Rodriguez, Anton V Naumov","doi":"10.1088/2053-1583/ae4e41","DOIUrl":"10.1088/2053-1583/ae4e41","url":null,"abstract":"<p><p>Graphene quantum dots (GQDs) have emerged as important bioimaging tools because of their biocompatibility and the ability of some to perform deep-penetration near-infrared (NIR) fluorescence imaging. The development of NIR-fluorescent GQDs from various precursors can enhance their use in multiplex imaging, multi-analyte sensing, and combination therapy delivery. Herein, we present the synthesis of an unprecedented set of 11 distinct GQD structures capable of NIR fluorescence, achieved through microwave-assisted bottom-up carbonization of 11 precursors: ascorbic acid, chitosan, citric acid-urea, dextran, glucose, glucosamine hydrochloride, hyaluronic acid, L-glutamic acid, polyethylene glycol, sodium cholate, or sodium citrate. All GQDs exhibit biocompatibility at up to 2.20 mg ml<sup>-1</sup> and can be tracked <i>in vitro</i> by their NIR fluorescence, while demonstrating effective internalization in human embryonic kidney-293 cells. This work provides a unique, comprehensive study, offering versatility in synthesis and physical/chemical properties of biocompatible NIR-emitting GQDs suited for a range of bioimaging applications.</p>","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"13 2","pages":"025017"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12994528/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147479429","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
Intracellular sensing with transparent graphene-nanotube electrodes. 透明石墨烯纳米管电极的细胞内传感。
IF 4.3 3区 材料科学
2D Materials Pub Date : 2026-06-01 Epub Date: 2026-03-06 DOI: 10.1088/2053-1583/ae4bec
Xiao Fan, Jieun Park, Vaishali Malik, Lin Feng, Xin Zhang, Huilu Bao, Xiaoyu Zhang, Govindarajan Srimathveeravalli, Stephen S Nonnenmann, Jinglei Ping
{"title":"Intracellular sensing with transparent graphene-nanotube electrodes.","authors":"Xiao Fan, Jieun Park, Vaishali Malik, Lin Feng, Xin Zhang, Huilu Bao, Xiaoyu Zhang, Govindarajan Srimathveeravalli, Stephen S Nonnenmann, Jinglei Ping","doi":"10.1088/2053-1583/ae4bec","DOIUrl":"10.1088/2053-1583/ae4bec","url":null,"abstract":"<p><p>Transparent electrodes based on graphene are ideal for multimodal cell sensing. However, the atomically flat basal plane of graphene limits the applications largely to capacitive detection of extracellular signals. Here, we develop a biocompatible graphene-carbon nanotube (CNT) hybrid (Bio-GCH), consisting of a graphene substrate covalently decorated with sparsely distributed CNT structures. Bio-GCH electrodes enable low-bias (~4 V) nano-electroporation of cardiomyocytes and high-quality intracellular recordings, with CNTs serving as the dominant electrical transduction channel. At the same time, Bio-GCH electrodes retain the key advantages of graphene electrodes, including high optical transparency, electrical mobility, electrochemical stability, and biocompatibility.</p>","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"13 2","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13384486/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148597564","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
Zn ions-assisted growth of single-crystalline 2D WSe 2 with high quality via chemical vapor deposition Zn离子辅助化学气相沉积法制备高质量二维二氧化硅单晶
3区 材料科学
2D Materials Pub Date : 2026-01-13 DOI: 10.1088/2053-1583/ae377a
Huihui Han, Runzhang Xu, Lei Tang, Banglin Hu, Bowei Wang, Xiaowei Wang, Weiqi Li Li, Caiting Liang, Likuan Ma, Zhongchao Wei, Qijie Liang
{"title":"Zn ions-assisted growth of single-crystalline 2D WSe <sub>2</sub> with high quality via chemical vapor deposition","authors":"Huihui Han, Runzhang Xu, Lei Tang, Banglin Hu, Bowei Wang, Xiaowei Wang, Weiqi Li Li, Caiting Liang, Likuan Ma, Zhongchao Wei, Qijie Liang","doi":"10.1088/2053-1583/ae377a","DOIUrl":"https://doi.org/10.1088/2053-1583/ae377a","url":null,"abstract":"Abstract 2D WSe 2 , as a vital member of p-type transition metal dichalcogenides, exhibits exceptional electronic properties, making it particularly appealing for electronic applications. However, the major bottleneck requires the growth of large-area WSe 2 single crystals with low defect density, which is essential for practical use. In this study, we present a straightforward atmospheric-pressure chemical vapor deposition method that incorporates Zn ions to facilitate the growth of large-area WSe 2 single crystals with 501 μ m (average size is of 236 μ m). The as-grown WSe 2 exhibits high crystallinity and low defect density ranging from 2.4 × 10 12 cm −2 –3.9 × 10 12 cm −2 . Calculations indicate that the presence of Zn ions effectively reduces the reaction free energy associated with the nucleation and growth of WSe 2 , serving as a critical factor that enhances the growth process. The fabricated WSe 2 field-effect transistors exhibit exceptional electrical performance, achieving a maximum field-effect mobility of 46.02 cm 2 V −1 s −1 and an on/off current ratio of 10 6 . This work provides an effective approach for growing high-quality WSe 2 and holds promise for advancing nanoelectronics with superior performance.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"13 1","pages":"015027-015027"},"PeriodicalIF":0.0,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147895403","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 varied magnetic polarons and related photoluminescence behaviors of layer PA 2 CdCl 4 : Fe(III) structures pa2cdcl4: Fe(III)层结构的磁极化子变化及相关的光致发光行为
3区 材料科学
2D Materials Pub Date : 2025-10-01 DOI: 10.1088/2053-1583/ae0e30
Chaowei Huang, Qilin Wei, Shuaigang Ge, Xiaodong Shen, Kaihuang Huang, Bingsuo Zou
{"title":"The varied magnetic polarons and related photoluminescence behaviors of layer PA <sub>2</sub> CdCl <sub>4</sub> : Fe(III) structures","authors":"Chaowei Huang, Qilin Wei, Shuaigang Ge, Xiaodong Shen, Kaihuang Huang, Bingsuo Zou","doi":"10.1088/2053-1583/ae0e30","DOIUrl":"https://doi.org/10.1088/2053-1583/ae0e30","url":null,"abstract":"Abstract Ferromagnetic polaron (FMP) coupling and antiferromagnetic polaron (AMP) coupling have been extensively studied in zero-dimensional and three-dimensional structures. However, studying their electronic structures and photophysical processes in layer structures still faces significant challenges. In this work, we synthesized minor and rich Fe ion-doped PA 2 CdCl 4 layer structures by slow-cooling crystallization and adjusting the Fe ion concentration. In minor Fe ion-doped PA 2 CdCl 4 , the Fe–Fe ion pair easily replaces the Cd–Cd pairs in the corner-sharing octahedra layer to form a FMP and promote a red emission (618 nm) from localized exciton-magnetic polarons (LEMPs). In the rich Fe ion doping, AMPs can be easily formed when Fe ions obtain electrons from NH 2 and convert into a low-spin state, coexisting with FMPs. The increasing number of AMPs promote the formation of a new Fe-aniline charge-transfer band; the co-work of AMPs and the Fe-aniline charge-transfer band result in a blue emission (466 nm). The result of the magnetic field-dependent photoluminescence (PL) measurement indicates that the population, energy and the spin direction of AMPs and FMPs can have a direct impact on the luminescence behavior of Fe ion-doped PA 2 CdCl 4 layered structures. The density functional theory (DFT) calculation result indicates that Fe–Fe pairs under ferromagnetic (FM) coupling interact via d x 2 – y 2 and d z 2 orbitals. Fe–Fe pairs under antiferromagnetic (AFM) coupling on the d xy and d z 2 orbitals. This work provides new insights into the varied magnetic polarons of layer structures and their effect on PL behavior.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"13 1","pages":"015008-015008"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147911384","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 sensitive, stretchable, and transparent multidirectional wearable strain sensors based on patterned vertical graphene array 基于图形垂直石墨烯阵列的高灵敏度、可拉伸、透明多向可穿戴应变传感器
3区 材料科学
2D Materials Pub Date : 2025-01-06 DOI: 10.1088/2053-1583/ada623
Tianzeng Hong, Haonan Li, Jie Xue, Yahui Wen, Zifu Zhu, Xiaobo Gao, Yunli Shi, Dan Liŭ, Qingbin Zheng
{"title":"Highly sensitive, stretchable, and transparent multidirectional wearable strain sensors based on patterned vertical graphene array","authors":"Tianzeng Hong, Haonan Li, Jie Xue, Yahui Wen, Zifu Zhu, Xiaobo Gao, Yunli Shi, Dan Liŭ, Qingbin Zheng","doi":"10.1088/2053-1583/ada623","DOIUrl":"https://doi.org/10.1088/2053-1583/ada623","url":null,"abstract":"Abstract Since traditional uniaxial strain sensors constructed from isotropic materials mainly focus on identifying strain amplitude without the information of strain direction, multidimensional strain sensors are critical for capturing complex movements, such as human motions. Here, we propose a highly sensitive, stretchable, and transparent multidirectional strain sensor based on patterned vertical graphene array (PVGA) synthesized by plasma-enhanced chemical vapor deposition followed by selective etching and transferring. The obtained PVGA/Polydimethylsiloxane (PDMS) strain sensor exhibits outstanding anisotropic strain sensing performance, including high gauge factor (GF = 85.8 at 10% strain), excellent linearity ( R 2 = 0.99), and outstanding selectivity ( |▽| = 4.17). Cross-plied PVGA/PDMS strain sensors are also fabricated to demonstrate the application of detecting joint movements of the human body, as well as monitoring wrist motion for controlling a fruit-slicer game in the virtual environment. The sensor’s remarkable multi-dimensional sensing performance confirms their significant potential for diverse applications, notably in wearable electronics, such as personal health sensing, artificial intelligence, human-computer interaction, and soft robotics.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"12 2","pages":"025006-025006"},"PeriodicalIF":0.0,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147881924","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: 1
Constructing three-dimensional GO/CNT@NMP aerogels towards primary lithium metal batteries 构建三维 GO/CNT@NMP 气凝胶,实现一次锂金属电池
IF 5.5 3区 材料科学
2D Materials Pub Date : 2024-09-18 DOI: 10.1088/2053-1583/ad6884
Xuesong Yang, Yuao Wang, Zhuo Li, Zhuoying Cheng, Yinyi Gao, Kai Zhu and Dianxue Cao
{"title":"Constructing three-dimensional GO/CNT@NMP aerogels towards primary lithium metal batteries","authors":"Xuesong Yang, Yuao Wang, Zhuo Li, Zhuoying Cheng, Yinyi Gao, Kai Zhu and Dianxue Cao","doi":"10.1088/2053-1583/ad6884","DOIUrl":"https://doi.org/10.1088/2053-1583/ad6884","url":null,"abstract":"Graphene oxide (GO) can serve as cathode material for a viable primary lithium metal battery due to its richness in oxygen-containing functional groups. However, its application is hindered by non-conductivity of GO. Herein, a proposed electrode structure design strategy is carried to regulate the electron and ion conductivity of the graphene oxide aerogel (GO/CNT@NMP) electrode while retaining the original energy density. GO/CNT@NMP exhibits a discharge specific capacity of 703 mAh g−1 and an ultra-high energy density of 1655.76 Wh kg−1 at a low rate of 0.02 A g−1. Additionally, it achieves a maximum discharge rate of 1.4 A g−1, five times higher than the initial maximum discharge rate of GO. Characterization and electrochemical tests reveal that the excellent performance of GO/CNT@NMP can be attributed to its porous structure, high electrical conductivity, and large layer spacing. This study presents a potent strategy for the advancement of ultra-fast primary batteries, aiming to integrate ultra-high energy density and high-rate discharge capabilities.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"32 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254943","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
Two-dimensional Janus MXTe (M = Hf, Zr; X = S, Se) piezoelectrocatalysts: a comprehensive investigation of its electronic, synthesis feasibility, electric polarization, and hydrogen evolution reaction activity 二维 Janus MXTe(M = Hf、Zr;X = S、Se)压电催化剂:对其电子、合成可行性、电极化和氢进化反应活性的全面研究
IF 5.5 3区 材料科学
2D Materials Pub Date : 2024-09-18 DOI: 10.1088/2053-1583/ad71dd
Hermina Lizzette C Lim, Ela T Tobias, Guan-Yu Chen, Yen-Lin Lu, Alexandra B Santos-Putungan, Allan Abraham B Padama, Shi-Hsin Lin and Darwin Barayang Putungan
{"title":"Two-dimensional Janus MXTe (M = Hf, Zr; X = S, Se) piezoelectrocatalysts: a comprehensive investigation of its electronic, synthesis feasibility, electric polarization, and hydrogen evolution reaction activity","authors":"Hermina Lizzette C Lim, Ela T Tobias, Guan-Yu Chen, Yen-Lin Lu, Alexandra B Santos-Putungan, Allan Abraham B Padama, Shi-Hsin Lin and Darwin Barayang Putungan","doi":"10.1088/2053-1583/ad71dd","DOIUrl":"https://doi.org/10.1088/2053-1583/ad71dd","url":null,"abstract":"We computationally investigated potential piezoelectrocatalysts, two-dimensional (2D) Janus MXTe (M = Hf, Zr; X = S, Se). The structural and electronic properties, synthesis feasibility, piezoelectric properties, and hydrogen evolution reaction were calculated. Our results showed that these 2D Janus MXTe are narrow-gap semiconductors, indicating great conductivity for electrocatalysis. The feasibility of synthesis was comparable to the already synthesized Janus materials. To exhibit a piezoelectrocatalytic effect, the material has to be piezoelectric and catalytically effective simultaneously. As the Janus structure breaks the centrosymmetry, the considered MXTe are intrinsically piezoelectric. We therefore calculated the dipole moments and the variation of out-of-plane polarization upon strain. The computed piezoelectric coefficient e31 is within the same order of magnitude as that of other Janus 2D materials. Finally, although pristine 2D Janus MXTe were inert to hydrogen evolution reaction, incorporation of single-atom defects was found to boost hydrogen adsorption significantly. The catalytic efficacy can be further tuned by biaxial tensile strain, effectively controlling the Gibbs free energy of adsorption to be close to the thermoneutral value that is indicative of an excellent hydrogen evolution reaction activity, at least for ZrSTe Janus monolayer. In summary, this work proposed and comprehensively investigated a new class of possible piezoelectrocatalysts, 2D Janus materials, which is feasible to be synthesized, catalytically effective, and has great conductivity.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"194 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254944","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 future of Xenes beyond graphene: challenges and perspective 石墨烯以外的 Xenes 未来:挑战与展望
IF 5.5 3区 材料科学
2D Materials Pub Date : 2024-09-16 DOI: 10.1088/2053-1583/ad77e0
Carlo Grazianetti, Alessandro Molle and Christian Martella
{"title":"The future of Xenes beyond graphene: challenges and perspective","authors":"Carlo Grazianetti, Alessandro Molle and Christian Martella","doi":"10.1088/2053-1583/ad77e0","DOIUrl":"https://doi.org/10.1088/2053-1583/ad77e0","url":null,"abstract":"After more than ten years since the silicene discovery, many Xenes, the class of elemental graphene-like lattices, have now enriched the two-dimensional periodic table of elements. Here, we provide a perspective on the future of the Xenes by briefly summarizing their properties and devices reported thus far. Two main challenges are expected to focus the scientists’ attention to bring the Xenes to the next level. To step over the current scenario the Xenes need standardization either in the growth or in the fabrication of devices, aiming at the wafer-scale and the reliability and stability, respectively. The benefits arising from these challenges will enable the concept of hybrid Xenes and hybrid Xenes-based devices, that is a combination of different Xenes with new properties and multifunctional Xenes-based devices, respectively, with potential unexpected fascinating properties to continue the journey.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"42 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142254945","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
Soft-carbon-tuned hard carbon anode for ultrahigh-rate sodium storage 用于超高速钠储存的软碳调谐硬碳阳极
IF 5.5 3区 材料科学
2D Materials Pub Date : 2024-09-12 DOI: 10.1088/2053-1583/ad77e1
Hongjin Dai, Yufang Cao and Jingyu Sun
{"title":"Soft-carbon-tuned hard carbon anode for ultrahigh-rate sodium storage","authors":"Hongjin Dai, Yufang Cao and Jingyu Sun","doi":"10.1088/2053-1583/ad77e1","DOIUrl":"https://doi.org/10.1088/2053-1583/ad77e1","url":null,"abstract":"High-rate hard carbon anode is critical for achieving fast-charging sodium-ion batteries, whereas the limited ion/electron kinetics caused by unexpected surface defects and unsatisfactory conductivity greatly limits rate capability. Herein, a coconut shell-derived soft-carbon-tuned hard carbon (SHC) with low surface area (4.7 m2 g−1) was prepared. With SHCs as bricks, a high conductivity single-walled carbon nanotube (SWNT)-bonded hard carbon film was constructed. The pitch-derived soft carbon formed on SHCs can effectively decrease the surface defects and simultaneously induce optimized disordered graphite domains into carbon matrix, enabling high Na+ reversibility and ionic/electronic conductivity. The crosslinked SWNTs in-between can provide continuous ion/charge transport ‘highways’, thus ensuring rapid ion/electron kinetics. As a result, such a self-supporting carbon anode exhibits remarkable rate performance (330 mAh g−1 at 0.1 C and 272 mAh g−1 at 5 C), superior initial Coulombic efficiency of 95.2% and outstanding cycling stability.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"69 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198532","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
Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities 二维材料研究与设计中的多尺度计算建模技术:最新进展、挑战与机遇
IF 5.5 3区 材料科学
2D Materials Pub Date : 2024-09-09 DOI: 10.1088/2053-1583/ad63b6
Mohsen Asle Zaeem, Siby Thomas, Sepideh Kavousi, Ning Zhang, Tanmoy Mukhopadhyay, Avik Mahata
{"title":"Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities","authors":"Mohsen Asle Zaeem, Siby Thomas, Sepideh Kavousi, Ning Zhang, Tanmoy Mukhopadhyay, Avik Mahata","doi":"10.1088/2053-1583/ad63b6","DOIUrl":"https://doi.org/10.1088/2053-1583/ad63b6","url":null,"abstract":"This article provides an overview of recent advances, challenges, and opportunities in multiscale computational modeling techniques for study and design of two-dimensional (2D) materials. We discuss the role of computational modeling in understanding the structures and properties of 2D materials, followed by a review of various length-scale models aiding in their synthesis. We present an integration of multiscale computational techniques for study and design of 2D materials, including density functional theory, molecular dynamics, phase-field modeling, continuum-based molecular mechanics, and machine learning. The study focuses on recent advancements, challenges, and future prospects in modeling techniques tailored for emerging 2D materials. Key challenges include accurately capturing intricate behaviors across various scales and environments. Conversely, opportunities lie in enhancing predictive capabilities to accelerate materials discovery for applications spanning from electronics, photonics, energy storage, catalysis, and nanomechanical devices. Through this comprehensive review, our aim is to provide a roadmap for future research in multiscale computational modeling and simulation of 2D materials.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"14 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198533","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
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