2D Materials最新文献

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

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

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

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

Non-van der Waals MCrS2 nanosheets with tunable two-dimensional ferromagnetism 具有可调二维铁磁性的非范德华MCrS2纳米片

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-09-05 DOI: 10.1088/2053-1583/ad70c6

Na Luo, Hao Ma, Tao Zhang, Jiajing Wu, Zheng-Jie Chen, Minwei Xu, Yuanmiao Sun, Jing Peng

{"title":"Non-van der Waals MCrS2 nanosheets with tunable two-dimensional ferromagnetism","authors":"Na Luo, Hao Ma, Tao Zhang, Jiajing Wu, Zheng-Jie Chen, Minwei Xu, Yuanmiao Sun, Jing Peng","doi":"10.1088/2053-1583/ad70c6","DOIUrl":"https://doi.org/10.1088/2053-1583/ad70c6","url":null,"abstract":"Designing two-dimensional (2D) ferromagnetic materials with high Curie temperature is urgent for the development of spintronic technology. The exploration of non-van der Waals (vdW) ferromagnetic nanosheets play a vital role in enriching the 2D ferromagnetic materials family on account of the scarcity of vdW materials in nature. Herein, we report a non-vdW AgCrS2 material with antiferro-to-ferro-magnetism transition when it thinned down to monolayer. Based on it, a universal ion-exchange strategy was employed to replace Ag+ by the M (M = Li+, Na+, K+) cations, acquiring a series of 2D non-vdW M<italic toggle=\"yes\">x</italic>Ag0.5−<italic toggle=\"yes\">x</italic>CrS2 materials with tunable ferromagnetism. The Curie temperature is higher than the AgCrS2 nanosheet, and reaches up to 160 K when M is K+. The theoretical calculations verify the ferromagnetism of AgCrS2 and M<italic toggle=\"yes\">x</italic>Ag0.5−<italic toggle=\"yes\">x</italic>CrS2 nanosheet originated from CrS2 layer. The disorderly arranged M and Ag ions increase the asymmetry of the lattice structure of M<italic toggle=\"yes\">x</italic>Ag0.5−<italic toggle=\"yes\">x</italic>CrS2, thereby strengthening the interlayer ferromagnetic coupling and raising the Curie temperature of the nanosheets. This work provides ideas for discovering more 2D ferromagnetic materials with high Curie temperature.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"101 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198535","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

Giant resistance switch in twisted transition metal dichalcogenide tunnel junctions 扭曲过渡金属二卤化物隧道结中的巨型电阻开关

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-09-05 DOI: 10.1088/2053-1583/ad690f

Marc Vila

{"title":"Giant resistance switch in twisted transition metal dichalcogenide tunnel junctions","authors":"Marc Vila","doi":"10.1088/2053-1583/ad690f","DOIUrl":"https://doi.org/10.1088/2053-1583/ad690f","url":null,"abstract":"Resistance switching in multilayer structures are typically based on materials possessing ferroic orders. Here we predict an extremely large resistance switching based on the relative spin–orbit splitting in twisted transition metal dichalcogenide (TMD) monolayers tunnel junctions. Because of the valence band spin splitting which depends on the valley index in the Brillouin zone, the perpendicular electronic transport through the junction depends on the relative reciprocal space overlap of the spin-dependent Fermi surfaces of both layers, which can be tuned by twisting one layer. Our quantum transport calculations reveal a switching resistance larger than <inline-formula>\u0000<tex-math><?CDATA $10^6 %$?></tex-math><mml:math overflow=\"scroll\"><mml:mrow><mml:msup><mml:mn>10</mml:mn><mml:mn>6</mml:mn></mml:msup><mml:mi mathvariant=\"normal\">%</mml:mi></mml:mrow></mml:math><inline-graphic xlink:href=\"tdmad690fieqn1.gif\"></inline-graphic></inline-formula> when the relative alignment of TMDs goes from 0∘ to 60∘ and when the angle is kept fixed at 60∘ and the Fermi level is varied. By creating vacancies, we evaluate how inter-valley scattering affects the efficiency and find that the resistance switching remains large (<inline-formula>\u0000<tex-math><?CDATA $10^4 %$?></tex-math><mml:math overflow=\"scroll\"><mml:mrow><mml:msup><mml:mn>10</mml:mn><mml:mn>4</mml:mn></mml:msup><mml:mi mathvariant=\"normal\">%</mml:mi></mml:mrow></mml:math><inline-graphic xlink:href=\"tdmad690fieqn2.gif\"></inline-graphic></inline-formula>) for typical values of vacancy concentration. Not only should this resistance switching be observed at room temperature due to the large spin splitting, but our results also show how twist angle engineering and control of van der Waals heterostructures could be used for next-generation memory and electronic applications.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"51 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198534","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

Liquid-phase exfoliated 2D materials for lithium-ion battery anode: current status and future direction 用于锂离子电池负极的液相剥离二维材料：现状与未来方向

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-09-05 DOI: 10.1088/2053-1583/ad7271

Ziyu Li, Xuefeng Liu, Ke Xu, Qiao Xie, Yage Li, Haijun Zhang, Shaowei Zhang, Wen Lei

{"title":"Liquid-phase exfoliated 2D materials for lithium-ion battery anode: current status and future direction","authors":"Ziyu Li, Xuefeng Liu, Ke Xu, Qiao Xie, Yage Li, Haijun Zhang, Shaowei Zhang, Wen Lei","doi":"10.1088/2053-1583/ad7271","DOIUrl":"https://doi.org/10.1088/2053-1583/ad7271","url":null,"abstract":"With the increasing need for energy and the swift advancement of the electric vehicle industry, the field of energy storage has garnered significant attention. Especially, lithium-ion batteries (LIBs) serve as crucial energy storage devices and have received particular attention. As an emerging class of electrode materials, two-dimensional (2D) materials have become promising candidates for solving the challenges of LIBs owing to their high theoretical capacity, high specific surface area, high ionic conductivity, and long cycle life. The research progress on 2D materials, especially those prepared through liquid-phase exfoliation (LPE), has shown great potential in improving the performance of LIBs. LPE is a powerful and efficient method for preparing 2D materials with various sizes and properties, which is suitable for practical applications. Given these, this paper underscores the great potential of 2D materials prepared via LPE as anode materials for LIBs. Meanwhile, the existence of challenges that need to be overcome in relation to the scalability of the LPE method and the use of 2D materials in practical applications are also proposed.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"10 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198538","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

Dielectrophoretic direct assembling of Mxene flakes at the level of screen-printed interdigitated microelectrodes and their evaluation in gas sensing applications 在丝网印刷相互咬合微电极水平上直接组装 Mxene 薄片的压电电泳技术及其在气体传感应用中的评估

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-30 DOI: 10.1088/2053-1583/ad6ba4

Ina Turcan, Tudor Alexandru Filip, Tăchiță Vlad-Bubulac, Daniela Rusu, Marius Andrei Olariu

{"title":"Dielectrophoretic direct assembling of Mxene flakes at the level of screen-printed interdigitated microelectrodes and their evaluation in gas sensing applications","authors":"Ina Turcan, Tudor Alexandru Filip, Tăchiță Vlad-Bubulac, Daniela Rusu, Marius Andrei Olariu","doi":"10.1088/2053-1583/ad6ba4","DOIUrl":"https://doi.org/10.1088/2053-1583/ad6ba4","url":null,"abstract":"Controlling, orientating, and assembling 2D materials is critical for their successful exploitation as active elements in various applications, particularly for sensors. Despite the increased interest in exploiting the properties of MXenes, to date, the direct dielectrophoretic assembly of this category of materials has not been reported. Thus, this work presents an experimental study on dielectrophoretic assembly of pristine MXene flakes at the level of screen-printed interdigitated microelectrodes. The development of MXene uniaxial ‘bridges’ across electrode micro-gaps can be controlled by convenient dielectrophoretic parameters such as voltage and frequency, which are thoroughly discussed. Moreover, appropriate frequencies for avoiding parasitic electrokinetic phenomena (AC electro-osmosis, electrothermal effect) that hamper the application of dielectrophoresis were identified. Finally, the proposed methodology for assembling MXene flakes demonstrates its feasibility of being used for development of chemiresistors as of satisfactory response of pristine MXene ‘bridges’ to ethanol atmosphere.","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"13 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198539","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

Raman spectroscopy of atomically thin HfX2 (X=S, Se) 原子薄 HfX2（X=S，Se）的拉曼光谱

IF 5.5 3区材料科学

2D Materials Pub Date : 2024-08-30 DOI: 10.1088/2053-1583/ad70c8

Chhor Yi Ly, Chenda Vong, Tharith Sriv, Hyeonsik Cheong

{"title":"Raman spectroscopy of atomically thin HfX2 (X=S, Se)","authors":"Chhor Yi Ly, Chenda Vong, Tharith Sriv, Hyeonsik Cheong","doi":"10.1088/2053-1583/ad70c8","DOIUrl":"https://doi.org/10.1088/2053-1583/ad70c8","url":null,"abstract":"We investigated interlayer modes of few-layer HfX2 (X = S, Se) by using low-frequency micro-Raman spectroscopy with three excitation energies (1.96 eV, 2.33 eV, 2.54 eV) under vacuum condition (∼10−6Torr). We observed interlayer modes in HfSe2 when the 2.54 eV excitation energy was used. The low-frequency Raman spectra reveal a series of shear and breathing modes (<50 cm−1) that are helpful for identifying the number of layers. The in-plane <italic toggle=\"yes\">E</italic>g and out-of-plane <italic toggle=\"yes\">A</italic>1g modes of HfSe2 are located at ∼150 cm−1 and ∼200 cm−1, respectively. In HfS2, in-plane <italic toggle=\"yes\">E</italic>g and out-of-plane <italic toggle=\"yes\">A</italic>1g optical phonons are observed at ∼260 cm−1 and ∼337 cm−1, respectively. The in-plane and out-of-plane force constants of atomically thin HfSe2 are obtained to be 1.87 × 1019N m−3 and 6.55 × 1019N m−3, respectively, by fitting the observed interlayer modes using the linear chain model. These results provide valuable information on materials parameters for device designs using atomically-thin layered HfX2 (X = S, Se).","PeriodicalId":6812,"journal":{"name":"2D Materials","volume":"45 1","pages":""},"PeriodicalIF":5.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198540","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