Negative and near-zero Poisson's ratios in 2D graphene/MoS2 and graphene/h-BN heterostructures

Li, Xiaowen1,2; Huang, Chuanwei3; Hu, Songbai2; Deng, Bei2; Chen, Zuhuang4; Han, Wenqiao2; Chen, Lang2

2020-03-28

10.1039/c9tc06424a

Journal of Materials Chemistry C   影响因子和分区

2050-7526

2050-7534

Negative and near-zero Poisson's ratio materials are mechanical metamaterials that host an improved strain energy absorption property with respect to conventional materials. By using first-principles calculations, we report the negative and near-zero Poisson's ratios in van der Waals (vdW) heterostructures, such as graphene/hexagonal molybdenum disulfide (G/MoS2) and graphene/hexagonal boron nitride (G/h-BN), sharing distinct crystal structures from all other known negative and near-zero Poisson's ratio materials. However, the Poisson's ratios of the interfacial layer in bilayer MoS2 and h-BN are positive and near-zero along the out-of-plane direction, respectively, which are quite different from the Poisson's ratios of G/MoS2 and G/h-BN heterostructures. Therefore, these behaviors are unique to vdW heterostructures. We attribute these negative Poisson's ratio behaviors to the special interaction of p(z) orbitals between the interfacial layers. Furthermore, we observed among them high-order elastic constants in the out-of-plane direction, which exhibit nonlinear stress-strain responses. These results are significant for the preparation of G/h-BN and G/MoS2 heterostructures. The combinations of tunable negative/near-zero Poisson's ratios with the excellent electrical/optical properties of G/MoS2 and G/h-BN heterostructures will pave the way to a wide range of applications in novel auxetic molecular sieves and electrodes.

SCI ; EI

英语

通讯

Science and Technology Research Items of Shenzhen[JCYJ20170412153325679] ; Science and Technology Research Items of Shenzhen[JCYJ20180504165650580] ; Science and Technology Research Items of Shenzhen[JCYJ20170817110302672]

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied

WOS:000526888700006

ROYAL SOC CHEMISTRY

20201508400077

Boron nitride ; Van der Waals forces ; Layered semiconductors ; Molecular sieves ; Poisson ratio ; Calculations ; Molybdenum disulfide ; Strain energy ; III-V semiconductors

Semiconducting Materials:712.1 ; Nanotechnology:761 ; Physical Chemistry:801.4 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Inorganic Compounds:804.2 ; Mathematics:921 ; Mechanics:931.1 ; Atomic and Molecular Physics:931.3 ; Materials Science:951

Web of Science

1.Harbin Inst Technol, Dept Phys, Harbin 150080, Peoples R China
2.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China
3.Shenzhen Univ, Coll Mat Sci & Engn, Shenzhen Key Lab Special Funct Mat, Shenzhen 518060, Guangdong, Peoples R China
4.Harbin Inst Technol, Sch Mat Sci & Engn, Shenzhen 518055, Guangdong, Peoples R China

Li, Xiaowen,Huang, Chuanwei,Hu, Songbai,et al. Negative and near-zero Poisson's ratios in 2D graphene/MoS2 and graphene/h-BN heterostructures[J]. Journal of Materials Chemistry C,2020,8(12):4021-4029.

Li, Xiaowen.,Huang, Chuanwei.,Hu, Songbai.,Deng, Bei.,Chen, Zuhuang.,...&Chen, Lang.(2020).Negative and near-zero Poisson's ratios in 2D graphene/MoS2 and graphene/h-BN heterostructures.Journal of Materials Chemistry C,8(12),4021-4029.

Li, Xiaowen,et al."Negative and near-zero Poisson's ratios in 2D graphene/MoS2 and graphene/h-BN heterostructures".Journal of Materials Chemistry C 8.12(2020):4021-4029.