In-plane Poisson's Ratio Research Articles

An emerging bidirectional auxetic post-phosphorene ε-SnO monolayer: A promising Janus semiconductor with photocatalytic activity for solar-driven water splitting reaction

The design of two-dimensional (2D) auxetic semiconductors satisfying the rigorous requirements of photocatalytic water-splitting remains challenging. Anisotropic Janus monolayers display excellent potential for water splitting owing to their high photocatalytic activity, while their scarcity proves to be a disadvantage for wide application. Herein, we propose an anisotropic auxetic Janus 2D photocatalyst, a structurally stable ε-SnO monolayer, using first-principles calculations. Monolayer ε-SnO exhibits extraordinary flexibility due to its ultralow Young's moduli and high critical crack strain. Particularly, the large negative in-plane Poisson's ratios are predicted to be −0.14/-0.17 along the x-/y-direction, which are larger than most previously reported 2D materials. It has a wide indirect bandgap, straddling the redox potentials of water, which varies with the in-plane strain. Radiation-induced carriers can drive the simultaneous occurrence of both hydrogen (HER) and oxygen (OER) evolution half reactions, even when they are under strain. The anisotropic carrier mobility can reach 625.86 cm2·V−1·s−1 and the absorption coefficients are predicted to reach up to the order of 105 cm−1, which is favorable for the photoexcited carrier to migrate to the active sites for water splitting. Interestingly, after transition metal atoms (from Sc to Zn) decoration, Mn/ε-SnO and Cr/ε-SnO as high-efficient single-atom HER photocatalysts are capable of driving HER with ultralow overpotentials of −0.002 V and −0.033 V, respectively, outperforming commercial Pt (−0.09 V). Meanwhile, the Cu/ε-SnO with a low-overpotential (0.385 V) is significantly better for neutral OER than IrO2 (0.55 V) that is widely accepted in industrial applications.

The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH2 monolayers.

Herein we show a density functional theory-based study performed on two recently predicted polymorphs of the BeH2 monolayer, α-BeH2 and β-BeH2 . The α-BeH2 phase possesses an in-plane negative Poisson's ratio (NPR), introducing it into the unique group of auxetic materials. Our assessment delves into the linear-elastic and finite-strain regimes to understand both polymorphs' structural and mechanical responses to deformation. We find that the in-plane NPR is shown to be only parallel to the bonds in α-BeH2 and remains along the uniaxial tensile path. Concomitantly, an out-of-plane transition toward auxetic is also revealed in regions exhibiting conventional Poisson's ratios, making α-BeH2 a bidirectionally auxetic material. While phase transitions in β-BeH2 are triggered at very short strains, α-BeH2 displays excellent elasticity against tension, superior to that of most currently known 2D materials.

Poisson's ratio and compressibility of arterial wall – Improved experimental data reject auxetic behaviour

Poisson's ratio of fibrous soft tissue is analyzed in this paper on the basis of direct experimental measurements of porcine arterial wall layer under uniaxial tension and immersed in tempered saline bath. The current study follows the previously published testing methodology but with a new totally redesigned testing apparatus allowing more credible and precise evaluation of arterial wall behaviour. The new results confirm most of previous findings focused on positivity/negativity of Poisson's ratio playing a crucial role in (in)validation aspects of some constitutive models widely used in recent computational vascular mechanics. The effect of frozen & thawed conditions is also evaluated in comparison with fresh specimens. The in-plane Poisson's ratio of arterial wall was identified in the range of 0.3–0.4, whereas its out-of-plane component is much higher ranging from 0.5 to 0.7. These results contrast with predictions of some frequently used constitutive models. The volumetric (in)compressibility of arterial specimens is also analyzed, quantified and discussed in the paper, as a key property of soft tissues closely related to the topic of their constitutive modelling.

2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications

Motivated by the successful synthesis of 2D C2F diamanes [Bakharev, P.V. et al., Nat. Nanotechnol. 15, 59–66 (2020)], we have systematically investigated the structural stability, in-plane mechanical, optoelectronic, photocatalytic, piezoelectric, and thermoelectric properties of non-Janus and Janus diamanes monolayers named as C2H, C2F, C2Cl, C4HF, C4HCl and C4FCl. The structural stability is confirmed by cohesive energy, phonon dispersion spectra, and mechanical properties. The electronic properties has been calculated by HSE06 functional and the band gap are found to be 3.85, 5.64, 2.32, 4.16, 0.73 and 1.91 eV for C2H, C2F, C2Cl, C4HF, C4HCl and C4FCl, respectively. The hydrogen-containing non-Janus and Janus diamanes monolayers have a higher negative Poisson's ratio (NPR) and therefore are good auxetic materials. From the Poisson's ratio and Young's modulus of each configuration of non-Janus and Janus diamanes monolayer, anisotropic behavior was displayed. From the optical properties calculations, the refractive index values are around 1.5, which means that it will be a transparent monolayered materials. Also, C2Cl, C4HCl and C4FCl monolayers displayed high absorption spectra with an order of 105 cm−1 in the visible region, which shows great applications in optoelectronic devices. Additionally, the valence and conduction band-edge positions of 2D Janus and non-Janus diamanes of C2H, C2F, and C2Cl and C4HF monolayers have to straddle the redox potentials of water. It means that the photogenerated electrons and holes are sufficient to drive the overall water splitting. Whereas non-Janus diamanes C4HCl, and C4FCl monolayers displayed only water oxidation. The investigated in-plane piezoelectric coefficient has larger in non-Janus diamanes C4HF, C4HCl, and C4FCl monolayers. Therefore, it is very useful in the field of piezoelectric applications. From the thermoelectric properties, the non-Janus and Janus diamanes monolayers have great thermoelectric efficiency and were found to be 10.52 and 10.63% for C2H and C2F, respectively. Our results demonstrate the new class of 2D carbon-based monolayers has good auxetic materials as well as a wide range of applications in optoelectronics, piezoelectric, and thermoelectric fields.

Prediction of 2D IV-VI semiconductors: auxetic materials with direct bandgap and strong optical absorption.

Auxetic materials are highly desirable for advanced applications because of their negative Poisson's ratios, which are rather scarce in two-dimensional materials. Motivated by the elemental mutation method, we predict a new class of monolayer IV-VI semiconductors, namely, δ-IV-VI monolayers (GeS, GeSe, SiS and SiSe). Distinctly different from the previously predicted IV-VI monolayers, the newly predicted δ-MX (X = Ge and Si; M = S and Se) monolayers exhibit a puckered unit cell with a space group of Pca21. Their stabilities were confirmed by first-principles lattice dynamics and molecular dynamics calculations. In particular, all these MX monolayers possess a large bandgap in the range of 2.08-2.65 eV and pronounced anisotropic mechanical properties, which are demonstrated by direction-dependent in-plane Young's moduli and Poisson's ratios. Furthermore, all these 2D MX monolayers possess negative Poisson's ratios (even up to about -0.3 for SiSe). Strong optical absorption is observed in these δ-IV-VI monolayers. These interesting physical properties will stimulate the development of 2D flexible devices based on IV-VI semiconductor monolayers.

Novel Braceletlike BiSbX3 (X = S, Se) Monolayers with an In-Plane Negative Poisson's Ratio and Anisotropic Photoelectric Properties.

In this work, we predict two novel two-dimensional (2D) auxetic materials, BiSbX3 (X = S, Se) monolayers, through first-principles calculations. Attributed to their special braceletlike structure, the in-plane negative Poisson's ratio (NPR) of BiSbS3 and BiSbSe3 monolayers are as high as -0.25 and -0.26, respectively. The phonon dispersion calculations, ab initio molecular dynamics simulations, and elastic constants calculations demonstrate that these two monolayers possess excellent dynamic, thermal, and mechanical stabilities. The band gap values of BiSbS3 and BiSbSe3 calculated at the HSE level by considering the spin-orbit coupling (SOC) effect are 1.68 and 1.20 eV. The anisotropic carrier mobility and superior optical absorption indicate that they may shine in the next generation of electronic and optoelectronic devices. All of these discoveries not only enrich the types of auxetic materials but also provide a structural reference for designing new auxetic materials on the molecular level. Furthermore, they can provide theoretical guidance for future applications of BiSbX3 (X = S, Se) monolayers in various fields.

Origami-based cellular mechanical metamaterials with tunable Poisson's ratio: Construction and analysis

Rigid origami provides great theoretical potentials for designing metamaterials with programmable mechanical properties. In this paper, a novel family of cellular mechanical metamaterials is developed based on rigid-foldable square-twist origami. Kinematics and rigid-foldability of the four types of square-twist origami patterns are investigated. A square-twist origami, which has specific kinematic characteristics, is selected to construct novel metamaterial cells in the x-y plane. During deployment, the tunable Poisson's ratios of proposed metamaterial cells are guaranteed by their rigid-foldability and no self-intersection. Two combination schemes, literally linear and plane-symmetrical combination, are proposed to stack the metamaterial cells in the z-direction for building cellular metamaterials. Influences of geometries, number of layers, assemble mode, and combination scheme on the in-plane and out-plane Poisson's ratios of the square-twist origami are then evaluated. The Poisson's ratios of the constructed mechanical metamaterials are further analyzed. Following the mapping relationship between design factors and Poisson's ratio, cellular mechanical metamaterials with tunable Poisson's ratios could be designed for engineering applications.

δ-SnS: An Emerging Bidirectional Auxetic Direct Semiconductor with Desirable Carrier Mobility and High-Performance Catalytic Behavior toward the Water-Splitting Reaction.

We propose a novel two-dimensional SnS allotrope (monolayer δ-SnS) based on an auxetic δ-phosphorene configuration using first-principles calculations. This monolayer appears to have outstanding stability as revealed by its energetic, kinetic, thermodynamic, and mechanic calculations, and it can withstand temperatures as high as 900 K. Monolayer δ-SnS is a wide direct-bandgap (2.354 eV) semiconductor, and its electron mobility is as high as ∼1.25 × 103 cm2 V-1 s -1, higher than that of monolayer KTlO (∼450 cm2 V-1 s-1) and MoS2 (∼200 cm2 V-1 s-1). Optical absorption spectra, reaching up to the order of ∼105 cm-1, are obviously excellent in the visible-light region, suggesting efficient harvesting of solar radiation. Because of its unique atomic motif, monolayer δ-SnS presents an unusual bidirectional auxetic effect: a high negative in-plane Poisson's ratio (-0.048 and -0.068), which is larger than those for many recently reported two-dimensional auxetic materials, e.g., black phosphorene (-0.027), borophene (-0.04), and monolayer penta-B2N4 (-0.02). The bandgap and band edge can be substantially manipulated under strain to meet the requirement of the water-splitting reaction. Particularly, when pH = 7, suitable band-edge alignments and small overpotentials of the photocatalytic OER (oxygen evolution reaction) and HER (hydrogen evolution reaction) appear, endowing monolayer δ-SnS with great potential as an efficient visible-light-driven bifunctional photocatalyst for water splitting.

Assessment of negative poisson's ratio effect on thermal post-buckling of FG-GRMMC laminated cylindrical panels

This paper examines the thermal post-buckling behaviors of graphene-reinforced metal matrix composite (GRMMC) laminated cylindrical panels which possess in-plane negative Poisson's ratio (NPR) and rest on an elastic foundation. A panel consists of GRMMC layers of piece-wise varying graphene volume fractions to obtain functionally graded (FG) patterns. Based on the MD simulation results, the GRMMCs exhibit in-plane NPR as well as temperature-dependent material properties. The governing equations for the thermal post-buckling of panels are based on the Reddy's third order shear deformation shell theory. The von Karman nonlinear strain-displacement relationship and the elastic foundation are also included. The nonlinear partial differential equations for GRMMC laminated cylindrical panels are solved by means of a singular perturbation technique in associate with a two-step perturbation approach and in the solution process the boundary layer effect is considered. The results of numerical investigations reveal that the thermal post-buckling strength for (0/90)5T GRMMC laminated cylindrical panels can be enhanced with an FG-X pattern. The thermal post-buckling load-deflection curve of 6-layer (0/90/0)S and (0/90)3T panels of FG-X pattern are higher than those of 10-layer (0/90/0/90/0)S and (0/90)5T panels of FG-X pattern.

Trace theory applied to composite analysis: A comparison with micromechanical models

Composite materials design is a challenging topic, and its first step is the estimation of the macromechanical elastic properties. Usually, this analysis is carried out applying micromechanical models that use constituent properties as input. Alternatively, according to Tsai's trace theory, the trace of stiffness matrix is invariant. In other words, it is independent of fibers and matrices used, as well as their volume fractions. The main advantage of trace-based approach is that the properties can be normalized by trace and only one test is required to compute all elastic properties, resulting in considerable saving of cost and time. On the other hand, the original proposal is limited to in-plane properties of carbon fiber laminates. In the present study, the trace-based methodology is compared with a set of 138 experimental data compiled from the literature for carbon fiber reinforced polymers (CFRP) and glass fiber reinforced polymers (GFRP). An extension of trace theory is proposed to compute the out-of-plane shear modulus. Trace theory is compared with 10 micromechanical models establishing a comparative discussion. Results show that average error of Tsai's trace approach is smaller than 20% for all the properties for both fiber types. Especially for the in-plane Poisson's ratio, trace-based estimation results in a smaller error than all other micromechanical models. The main goal of this paper is to compare Tsai's trace approach with classical micromechanical models. Although other models are useful in some cases, Tsai's trace approach is advantageous due to a considerable reduction of the design cost and time.

Bounds on the in-plane Poisson's ratios and the in-plane linear and area compressibilities for sheet crystals

It is well known that the Poisson's ratios for 3D isotropic elastic materials vary from -1 to +1/2. These results provide reference points for comparing the Poisson's ratios of anisotropic elastic materials. Sheet crystals (SCs) with remarkably anisotropic structures, in which sheet planes do not intersect, have recently attracted major fundamental and practical interest, while the bounds on the in-plane Poisson's ratios and linear and area compressibilities have not been generically established. Based on the theory of elasticity, we here predict the fundamental bounds on the in-plane Poisson's ratios and linear and area compressibilities for SCs of any crystal system. These predictions are well supported by a data-driven investigation of numerically generated elastic tensors, elastic tensors from first principles calculations for both 2D and 3D SCs, and experimentally measured elastic tensors for 3D SCs. Based on these findings, the range of 2D and 3D SC materials that increase density or planar area or maintain constant density or planar area when stretched, and increase a dimension or planar area when hydrostatically compressed is established for special applications. This work provides fundamental insights and guidelines for the discovery, understanding, and applications of SCs having these properties in tensile strain and hydrostatic pressure environments.

Mechanical, electronic and optical properties of a novel B2P6 monolayer: ultrahigh carrier mobility and strong optical absorption.

Two-dimensional (2D) materials with a moderate bandgap and high carrier mobility are useful for applications in optoelectronics. In this work, we present a systematic investigation of the mechanical, electronic and optical properties of a B2P6 monolayer using first-principles calculations. Monolayer B2P6 was estimated to be an anisotropic material from direction-dependent in-plane Young's moduli and Poisson's ratios. Also, B2P6 exhibits an ultrahigh electron mobility of ∼5888 cm2 V-1 s-1, showing advantages for application in high-speed optoelectronic devices. More importantly, for the B2P6 monolayer, a desirable transformation from an indirect to direct band gap was observed at a biaxial tensile strain of ∼4%. Increasing the biaxial strain reduces the gap and preserves the suitable band edge positions for photocatalytic water splitting in the observed strain range of 1-8%. The decreased gap also enhances the visible light absorption of the B2P6 monolayer. These findings indicate that the B2P6 monolayer has promising applications in photocatalytic and photovoltaic devices.

TPDH-graphene: A new two dimensional metallic carbon with NDR behaviour of its one dimensional derivatives

Abstract A new two dimensional carbon allotrope TPDH-graphene (Tetra-Penta-Deca-Hexagonal-graphene) belonging to the tetragonal-pentagonal carbon ring family is proposed in this work using density-functional method. The allotrope satisfies all the conditions of structural stability. This allotrope has lower cohesive energy than many existing planar carbon allotropes. It can withstand temperature as high as 1000 K without loosing its structural integrity. However, its electronic structure reflects metallic character due to delocalised pz orbital near the Fermi level. Further, this mechanically stable elastically anisotropic structure shows directional variation of In-plane Young's modulus and Poisson's ratio. It is stronger than graphene in a particular direction. Moreover, The material can be identified by four characteristic peaks in the electron energy loss spectra within 10 eV energy. It has optical reflectance peaks in the visible range at ∼600 nm yellow colour. Interestingly, some nanoribbons of this material show semimetallic, semiconducting and metallic behaviour. Non-equilibrium Green's function method along with density-functional theory is employed to study the nanodevices made of these nanoribbons. Strong current regulation property and robust negative differential resistance effect with a peak-to-valley ratio 3.3 are observed in two nanodevices making TPDH-graphene an attractive material for use in nanoelectronics.

In-plane elastic properties of geosynthetics from in-air biaxial tension tests

Geosynthetics experience load simultaneously in each principal material direction in applications such as retaining walls, constructed slopes, roadways, and reinforced granular load transfer platforms. Biaxial loading results in a stiffer load-strain response compared to that observed in uniaxial loading. Load-strain properties of geosynthetics determined from wide-width uniaxial tension tests are unable to account for this effect and are generally regarded as an index test. This paper presents the development of a biaxial testing procedure to provide load-strain response data necessary to determine in-plane linear elastic tensile properties of geosynthetics. These properties consist of two elastic moduli, two dependent in-plane Poisson's ratios and an in-plane shear modulus. The elastic moduli and Poisson's ratios are derived from non-bias biaxial tests where load is applied in the two principal directions of the material. The in-plane shear modulus is determined from biaxial tests on specimens where load is applied on a bias such that the principal material directions are oriented at a 45-degree angle to the test machine directions. The tests are performed on geosynthetics that have been load conditioned such that the subsequent load-strain response is considered to be a resilient response pertinent to repetitive load applications such as geosynthetic reinforced pavements.

Comprehensive first-principles study of bulk, bilayer, and monolayer α-PtO2 properties

Abstract We calculated the structural stability, electronic, optical, and thermoelectric properties for α-PtO2 structures (bulk, bilayer, and monolayer) via first-principles density functional theory calculations. The results show that there is good agreement between the calculated lattice parameters and the available experimental data for the bulk structure. The in-plane Young's modulus and Poisson's ratio were calculated in the harmonic elastic strain range, and the results show that the monolayer is harder than the bulk. GW0 calculations on top of a semi-local generalised gradient approximation for the exchange-correlation energy predicted that the bilayer, monolayer, and the bulk α-PtO2 are all semiconductors with indirect band gaps. The results reveal that the band gap increases from bulk to monolayer. Calculations of optical properties show that the monolayer can absorb up to 8% of incident radiation in the visible range, which is higher than the 2.3% for graphene of the same thickness. In contrast, the bulk absorbs 1.77%. Phonon calculations confirm that all structures are dynamically stable. To examine the lattice thermal conductivity, the Boltzmann transport equation calculations in conjunction with density functional theory were implemented. The in-plane calculated lattice thermal conductivity were 8.47 × 10−8Wm−1K−1 for bulk, 4.59 × 10−8Wm−1K−1 for bilayer and 1.06 × 10−8Wm−1K−1 per layer at 300 K. The obtained thermoelectric figure of merit (ZT) per layer were 0.11 for bulk, 0.62 for bilayer and 0.74 for monolayer, respectively. The investigation shows that the n-type in monolayer has the most promise for thermoelectric applications.

Computational prediction of a two-dimensional semiconductor SnO2 with negative Poisson's ratio and tunable magnetism by doping

Based on first-principles calculations, we predict a stable two-dimensional semiconductor, namely tin dioxide ${\mathrm{SnO}}_{2}$. By investigating its dynamical, thermal, and mechanical properties, we find that ${\mathrm{SnO}}_{2}$ monolayer is an auxetic material with a large in-plane negative Poisson's ratio. Furthermore, our results show that ${\mathrm{SnO}}_{2}$ is an indirect-gap semiconductor with a band gap in the region of 3.7 eV and an extremely high electron mobility, $\ensuremath{\sim}{10}^{3}\phantom{\rule{4pt}{0ex}}{\mathrm{cm}}^{2}\phantom{\rule{0.16em}{0ex}}{\mathrm{V}}^{\ensuremath{-}1}\phantom{\rule{0.16em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$. Interestingly, the band structure of ${\mathrm{SnO}}_{2}$ presents double Mexican-hat-like band edges in the valence bands near the Fermi level. Due to such a unique band feature, a ferromagnetic phase transition takes place with a half-metallic ground state that can be induced by hole doping within a very wide concentration range. Such a magnetic phase can be well explained by the Stoner mechanism. A peculiar feature of the magnetic state is the presence of large magnetocrystalline anisotropy that can switch from in-plane to out-of-plane upon hole doping. Hence, ${\mathrm{SnO}}_{2}$ monolayer can be tuned to be either an $XY$ magnet or an Ising one, with a magnetic critical temperature above room temperature at proper hole concentrations. These findings demonstrate that the predicted phase of ${\mathrm{SnO}}_{2}$ is a rare example of $p$-type magnetism and a possible candidate for spintronic applications.

δ-CS: A Direct-Band-Gap Semiconductor Combining Auxeticity, Ferroelasticity, and Potential for High-Efficiency Solar Cells

We propose a two-dimensional material, \ensuremath{\delta}-CS, and show that it is a direct-band-gap semiconductor with strong absorption of solar radiation. Power conversion efficiencies of 7.0% to 20.1% are predicted for solar cells with \ensuremath{\delta}-CS as a donor and a transition metal dichalcogenide as an acceptor. \ensuremath{\delta}-CS also excels in terms of having an exceptionally large negative in-plane Poisson's ratio. Its ferroelasticity with moderate switching barrier is promising for applications in shape memory devices.

Effect of negative poisson's ratio on the axially compressed postbuckling behavior of FG-GRMMC laminated cylindrical panels on elastic foundations

Auxetic materials are one of the metamaterials that have potential applications in many scientific and engineering fields. In this paper, an investigation is presented on the postbuckling responses of axially loaded graphenereinforced metal matrix composite (GRMMC) laminated cylindrical panels with in-plane negative Poisson's ratio (NPR). The panels are made of GRMMC laminates and rest on an elastic foundation in thermal environments. The graphene volume fraction in GRMMC layer may vary across the panel thickness in order to achieve a piece-wise functionally graded (FG) pattern. The GRMMC layers have in-plane NPR and temperature dependent material properties. The governing differential equations for the GRMMC laminated cylindrical panels are formulated based on the Reddy's third order shear deformation shell theory and are solved by using a singular perturbation technique along with a two-step perturbation approach. Numerical investigation is carried out to study the influence of the in-plane NPR, the FG patterns, the thermal environmental conditions and the foundation stiffness on the postbuckling responses of the GRMMC laminated cylindrical panels under axial compressive load. The results reveal that the in-plane NPR can lead to a substantial change of the postbuckling behaviors of the GRMMC laminated cylindrical panels.

A novel two-dimensional sp-sp2-sp3 hybridized carbon nanostructure with a negative in-plane Poisson ratio and high electron mobility

A novel two-dimensional (2D) semiconducting carbon allotrope is proposed by inserting alkyne into tetrahexcarbon. This new carbon allotrope consists of tetra-rings and acetylenic linkages and is called TAL-carbon. To the best of our knowledge, this is the first 2D carbon allotrope composed of sp-sp2-sp3 hybridized carbon atoms. Due to its unique puckered structure, TAL-carbon is the fourth 2D carbon material with an intrinsic in-plane negative Poisson ratio (NPR) reported after graphene, penta-graphene, and tetrahexcarbon. Materials with NPR exhibit a wide range of potential applications in biomedicine, aerospace industries, and precision instruments. TAL-carbon has an indirect band gap of 1.614 eV. At room temperature, it exhibits high in-plane electron mobility of up to ~3.5 × 104 cm2V−1s−1, which is 30 times higher than monolayer black phosphorus and two orders of magnitude higher than monolayer MoS2. The phonon dispersion curves and in-plane elastic constants indicate that TAL-carbon is dynamically and mechanically stable. Its equibiaxial strain limit reaches 13.7%, similar to that of graphene. An ab initio molecular dynamics (AIMD) simulation demonstrates that TAL-carbon is thermally stable at 300 K and 1000 K. The results show that TAL-carbon is a promising 2D auxetic material for applications in nanomechanics and nanoelectronics.

A Novel Hyperbolic Two-Dimensional Carbon Material with an In-Plane Negative Poisson's Ratio Behavior and Low-Gap Semiconductor Characteristics.

Poisson’s ratio is one of the fundamental features of materials, reflecting the transverse strain response to the applied certain axial strain. The materials with a negative Poisson’s ratio, also known as auxetic materials, are rare in nature and attract lots of research interest because of their unusual mechanical behavior and extensive applications in mechanical nanodevices. Here, we proposed and studied a novel hyperbolic two-dimensional graphene-like structure (GLS) showing a negative Poisson’s ratio behavior by first-principles calculation. The thermodynamic, dynamic, lattice dynamic, and mechanical stabilities of the GLS were carefully studied. In addition, we also explored the electronic structure, mechanical characteristics, and optical-electronic characteristics. The GLS not only displays a negative Poisson’s ratio in certain directions but also shows low-gap semiconductor characteristics and superior electronic conductivity. It is a potential sunscreen material because of the outstanding reflection and absorption for ultraviolet and infrared light.