scholarly journals Auxetic two-dimensional transition metal selenides and halides

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Jinbo Pan ◽  
Yan-Fang Zhang ◽  
Jingda Zhang ◽  
Huta Banjade ◽  
Jie Yu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Poisson’S Ratio ◽  
2D Materials ◽  
Uniaxial Stress ◽  
Poisson's Ratio ◽  
Two Dimensional ◽  
Future Design ◽  
Metal Metal ◽  
Multiple Materials ◽  
Metal Selenides

Abstract Auxetic two-dimensional (2D) materials provide a promising platform for biomedicine, sensors, and many other applications at the nanoscale. In this work, utilizing a hypothesis-based data-driven approache, we identify multiple materials with remarkable in-plane auxetic behavior in a family of buckled monolayer 2D materials. These materials are transition metal selenides and transition metal halides with the stoichiometry MX (M = V, Cr, Mn, Fe, Co, Cu, Zn, Ag, and X = Se, Cl, Br, I). First-principles calculations reveal that the desirable auxetic behavior of these 2D compounds originates from the interplay between the buckled 2D structure and the weak metal–metal interaction determined by their electronic structures. We observe that the Poisson’s ratio is sensitive to magnetic order and the amount of uniaxial stress applied. A transition from positive Poisson’s ratio (PPR) to negative Poisson’s ratio (NPR) for a subgroup of MX compounds under large uniaxial stress is predicted. The work provides a guideline for the future design of 2D auxetic materials at the nanoscale.

A novel SiO monolayer with a negative Poisson's ratio and Dirac semimetal properties

2020 ◽  
Vol 22 (35) ◽  
pp. 20107-20113
Author(s):  
Hui Du ◽  
Guoling Li ◽  
Jiao Chen ◽  
Zhenlong Lv ◽  
Yuanzheng Chen ◽  
...  
Keyword(s):  
Physical Properties ◽  
Poisson’S Ratio ◽  
2D Materials ◽  
Poisson's Ratio ◽  
Negative Poisson’S Ratio ◽  
Two Dimensional ◽  
2D Material ◽  
Dirac Semimetal ◽  
Negative Poisson's Ratio

Although a number of interesting physical properties such as a negative Poisson's ratio (NPR) and Dirac semimetal (DS) properties have been recently predicted in two-dimensional (2D) materials, the realization of a 2D material that exhibit both of these DS and NPR features has rarely been reported.

Combined Healing and Doping of Transition Metal Dichalcogenides Through Molecular Functionalization

2021 ◽  
Author(s):  
Sai Manoj Gali ◽  
David Beljonne
Keyword(s):  
Transition Metal ◽  
Charge Transport ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Transition Metal Dichalcogenides (TMDCs) are emerging as promising two-dimensional (2D) materials. Yet, TMDCs are prone to inherent defects such as chalcogen vacancies, which are detrimental to charge transport. Passivation of...

scholarly journals Giant negative Poisson’s ratio in two-dimensional V-shaped materials

2021 ◽  
Author(s):  
Xikui Ma ◽  
Jian Liu ◽  
Yingcai Fan ◽  
Weifeng Li ◽  
Jifan Hu ◽  
...  
Keyword(s):  
Poisson’S Ratio ◽  
Poisson's Ratio ◽  
Negative Poisson’S Ratio ◽  
Two Dimensional ◽  
Auxetic Materials ◽  
Negative Poisson's Ratio ◽  
Poisson's Ratios ◽  
Poisson’S Ratios

Two-dimensional (2D) auxetic materials with exceptional negative Poisson’s ratios (NPR) are drawing increasing interest due to the potentials in medicine, fasteners, tougher composites and many other applications. Improving the auxetic...

scholarly journals Waterproof molecular monolayers stabilize 2D materials

2019 ◽  
Vol 116 (42) ◽  
pp. 20844-20849 ◽  
Author(s):  
Cong Su ◽  
Zongyou Yin ◽  
Qing-Bo Yan ◽  
Zegao Wang ◽  
Hongtao Lin ◽  
...  
Keyword(s):  
Transition Metal ◽  
Theoretical Analysis ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Water Molecules ◽  
Two Dimensional ◽  
Ambient Conditions ◽  
Molecular Monolayers ◽  
Metal Dichalcogenides ◽  
Van Der Waals Materials

Two-dimensional van der Waals materials have rich and unique functional properties, but many are susceptible to corrosion under ambient conditions. Here we show that linear alkylamines n-CmH2m+1NH2, with m = 4 through 11, are highly effective in protecting the optoelectronic properties of these materials, such as black phosphorus (BP) and transition-metal dichalcogenides (TMDs: WS2, 1T′-MoTe2, WTe2, WSe2, TaS2, and NbSe2). As a representative example, n-hexylamine (m = 6) can be applied in the form of thin molecular monolayers on BP flakes with less than 2-nm thickness and can prolong BP’s lifetime from a few hours to several weeks and even months in ambient environments. Characterizations combined with our theoretical analysis show that the thin monolayers selectively sift out water molecules, forming a drying layer to achieve the passivation of the protected 2D materials. The monolayer coating is also stable in air, H2 annealing, and organic solvents, but can be removed by certain organic acids.

Tailorable multifunctionalities in ultrathin 2D Bi-based layered supercell structures

Nanoscale ◽  
2021 ◽  
Author(s):  
Zihao He ◽  
Xingyao Gao ◽  
Di Zhang ◽  
Ping Lu ◽  
Xuejing Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Ferromagnetic Behavior ◽  
Two Dimensional ◽  
Next Generation ◽  
Layered Oxide ◽  
Nanoelectronic Devices ◽  
Potential Applications ◽  
Metal Dichalcogenides

Two-dimensional (2D) materials with robust ferromagnetic behavior have attracted great interest because of their potential applications in next-generation nanoelectronic devices. Aside from graphene and transition metal dichalcogenides, Bi-based layered oxide...

Low temperature solution synthesis of reduced two dimensional Ti3C2 MXenes with paramagnetic behaviour

Nanoscale ◽  
2018 ◽  
Vol 10 (47) ◽  
pp. 22429-22438 ◽  
Author(s):  
Yeoheung Yoon ◽  
Thi Anh Le ◽  
Anand P. Tiwari ◽  
Ikjoon Kim ◽  
Michel W. Barsoum ◽  
...  
Keyword(s):  
Low Temperature ◽  
Transition Metal ◽  
2D Materials ◽  
Two Dimensional ◽  
Solution Synthesis ◽  
Early Transition Metal ◽  
Temperature Solution ◽  
Paramagnetic Behaviour ◽  
Early Transition

MXenes – two dimensional, 2D, early transition metal, M, carbides and nitrides, X – are the latest addition to the 2D materials’ world.

Effective properties of composite materials containing voids

1993 ◽  
Vol 440 (1909) ◽  
pp. 461-473 ◽  
Keyword(s):  
Young’S Modulus ◽  
Poisson’S Ratio ◽  
Effective Properties ◽  
Young's Modulus ◽  
Matrix Material ◽  
Practical Importance ◽  
Three Dimensional ◽  
Poisson's Ratio ◽  
Two Dimensional ◽  
Isotropic Composite

Recent results of theoretical and practical importance prove that the two-dimensional (in-plane) effective (average) Young’s modulus for an isotropic elastic material containing voids is independent of the Poisson’s ratio of the matrix material. This result is true regardless of the shape and morphology of the voids so long as isotropy is maintained. The present work uses this proof to obtain explicit analytical forms for the effective Young’s modulus property, forms which simplify greatly because of this characteristic. In some cases, the optimal morphology for the voids can be identified, giving the shapes of the voids, at fixed volume, that maximize the effective Young’s modulus in the two-dimensional situation. Recognizing that two-dimensional isotropy is a subset of three-dimensional transversely isotropic media, it is shown in this more general case that three of the five properties are independent of Poisson’s ratio, leaving only two that depend upon it. For three-dimensionally isotropic composite media containing voids, it is shown that a somewhat comparable situation exists whereby the three-dimensional Young’s modulus is insensitive to variations in Poisson’s ratio, v m , over the range 0 ≤ v m ≤ ½, although the same is not true for negative values of v m . This further extends the practical usefulness of the two-dimensional result to three-dimensional conditions for realistic values of v m .

scholarly journals Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson’s Ratio

2019 ◽  
Vol 2019 ◽  
pp. 1-10 ◽  
Author(s):  
Kun Yuan ◽  
Meng-Yang Li ◽  
Yan-Zhi Liu ◽  
Ren-Zhong Li
Keyword(s):  
Mechanical Properties ◽  
Poisson’S Ratio ◽  
Density Functional ◽  
Mechanical Stability ◽  
Poisson's Ratio ◽  
Negative Poisson’S Ratio ◽  
Two Dimensional ◽  
Carbon Nanostructure ◽  
Ratio Effect ◽  
Negative Poisson's Ratio

The intrinsic negative Poisson’s ratio effect in 2-dimensional nanomaterials have attracted a lot of research interests due to its superior mechanical properties, and new mechanisms have emerged in the nanoscale. In this paper, we designed a novel graphyne-like two-dimensional carbon nanostructure with a “butterfly” shape (GL-2D-1) and its configuration isomer with a “herring-bone” form (GL-2D-2) by means of density functional theoretical calculation and predicted their in-plane negative Poisson’s ratio effect and other mechanical properties. Both GL-2D-1 and GL-2D-2 present a significant negative Poisson’s ratio effect under different specific strains conditions. By contrast, GL-2D-2 presents a much stronger negative Poisson’s ratio effect and mechanical stability than does GL-2D-1. It is hoped that this work could be a useful structural design strategy for the development of the 2D carbon nanostructure with the intrinsic negative Poisson’s ratio.

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