4.7 Article

Heterostrain and temperature-tuned twist between graphene/h-BN bilayers

期刊

SCIENTIFIC REPORTS
卷 13, 期 1, 页码 -

出版社

NATURE PORTFOLIO
DOI: 10.1038/s41598-023-31233-3

关键词

-

向作者/读者索取更多资源

The research finds that heterostrain can rotate the graphene flake within a few degrees, and the temperature effect is negligible. The band gaps of bilayers can be modulated by proper heterostrain and twist angles. Further analysis reveals that heterostrain regulates the interlayer energy landscape by controlling the evolution of Moire patterns. This result provides a mechanical strategy for manipulating the twist angles of graphene/h-BN bilayers and may facilitate the design of rotatable electronic nanodevices.
Two-dimensional materials stacked atomically at small twist angles enable the modification of electronic states, motivating twistronics. Here, we demonstrate that heterostrain can rotate the graphene flake on monolayer h-BN within a few degrees (- 4 degrees to 4 degrees), and the twist angle stabilizes at specific values with applied constant strains, while the temperature effect is negligible in 100-900 K. The band gaps of bilayers can be modulated from similar to 0 to 37 meV at proper heterostrain and twist angles. Further analysis shows that the heterostrain modulates the interlayer energy landscape by regulating Moire pattern evolution. The energy variation is correlated with the dynamic instability of different stacking modes of bilayers, and arises from the fluctuation of interlayer repulsive interaction associated with p-orbit electrons. Our results provide a mechanical strategy to manipulate twist angles of graphene/h-BN bilayers, and may facilitate the design of rotatable electronic nanodevices.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.7
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

Article Materials Science, Multidisciplinary

Fast crack propagation correlated with crack tip stress in 2D hexagonal atomic lattices

Xiujin Yang, Hong Tian, Bin Zhang

INTERNATIONAL JOURNAL OF FRACTURE (2018)

Article Mechanics

Instability of rapidly accelerating rupture fronts in nanostrips of monolayer hexagonal boron nitride

Hong Tian, Xiujin Yang, Gang Yang, Bin Zhang

ENGINEERING FRACTURE MECHANICS (2018)

Article Materials Science, Multidisciplinary

Fast crack kinking manipulated by atomic hoop stress in monolayer hexagonal boron nitride strip

Hanqi Zhang, Bin Zhang

COMPUTATIONAL MATERIALS SCIENCE (2018)

Article Materials Science, Multidisciplinary

Ballistic response of hexagonal boron nitride monolayer under impact of a nano-projectile

Hong Tian, Bin Zhang, Q. M. Li

MECHANICS OF MATERIALS (2019)

Article Physics, Applied

Crack kinking in h-BN monolayer predicted by energy dissipation

Hong Tian, Feng Pan, Bin Zhang

JOURNAL OF APPLIED PHYSICS (2020)

Article Chemistry, Physical

Twisted bilayer graphene/h-BN under impact of a nano-projectile

Xing Yang, Bin Zhang

Summary: The study investigates the transverse impact responses of three types of twisted bilayers subjected to nano-projectile penetrations at various velocities. Results show that the twist angle has little effect on the critical penetration velocity, with energy absorption primarily through kinetic energy transfer and deformation. As the number of layers increases, the absorption efficiency of bilayers is higher than that of individual monolayers.

APPLIED SURFACE SCIENCE (2021)

Article Mechanics

Nanofracture of stretched hexagonal boron nitride strip with an edge crack

Feng Pan, Hong Tian, Bin Zhang

Summary: The tensile fracture behavior of hexagonal boron nitride (h-BN) strips with zigzag edge cracks was investigated using molecular dynamics (MD) and a modified Tersoff potential. The study found that the Griffith criterion overestimates remote stress for short cracks and underestimates it for longer cracks, proposing a modified exponent factor of 0.28. Results also showed that the elastic continuum overestimates local stresses around crack fronts, with critical energy release rate at initiation for small cracks being significantly higher than theoretical toughness.

ENGINEERING FRACTURE MECHANICS (2021)

Article Nanoscience & Nanotechnology

Rotational Friction Correlated with Moire Patterns in Strained Bilayer Graphene: Implications for Nanoscale Lubrication

Xing Yang, Bin Zhang

Summary: This study investigates the rotational friction between graphene layers using molecular dynamics simulations, revealing that the emergence of Moire patterns can lead to superlubricity. Further analysis shows that the incommensurate interface of Moire patterns can tune the local energy, resulting in ultralow interlayer energy barriers. Adjusting the size of Moire patterns to match that of graphene flakes can significantly reduce torque in bilayer systems with biaxially stretched substrates.

ACS APPLIED NANO MATERIALS (2021)

Article Chemistry, Physical

Nano-projectiles impact on graphene/SiC laminates

Hong Tian, Bin Zhang

Summary: The ballistic performance of graphene/silicon carbide laminates under nano-projectile impact is studied. Graphene acts as a barrier coating, enhancing the hardness and total penetration energy of the laminates. Increasing the number of graphene layers further increases the total penetration energy. The ballistic performance of graphene/silicon carbide is enhanced under secondary impact due to the formed sp3 bonds and residual bending deformation.

APPLIED SURFACE SCIENCE (2022)

Article Materials Science, Multidisciplinary

Ballistic resistance of twisted bilayer graphene with interlayer sp3-bonding on SiC substrate

Hong Tian, Bin Zhang

Summary: Diamond-like twisted bilayer graphene (TBG) with interlayer sp(3)-bonding shows high specific penetration energy and dynamic protective mechanisms, making it a promising material for coating design on SiC substrates.

COMPUTATIONAL MATERIALS SCIENCE (2022)

Article Mechanics

Cracking direction in graphene under mixed mode loading

Yao-Min Li, Bin Zhang

Summary: Crack branching in graphene under complex stresses is investigated using molecular dynamics simulations and boundary-layer models. By considering the anisotropic fracture toughness of hexagonal graphene, a Wulff-like curve is plotted based on the maximum energy release rate (MERR) criterion, showing the direction of crack kinking is consistent with that of the weak fracture toughness along the zigzag edge. The angle of crack kinking prefers 0 degrees /30 degrees /60 degrees, contrary to the angle predicted by the maximum circumferential stress criterion. The T-stress along the crack front, obtained through the over-deterministic method, can indicate the possibility of kink formation, especially for zigzag cracks. This study incorporates the Wulff-like curve and MERR criterion to accurately predict nanocrack paths in graphene.

ENGINEERING FRACTURE MECHANICS (2023)

Article Physics, Applied

Phase transitions of carbon nanotube bundles under non-proportional triaxial compressions

Yaomin Li, Bin Zhang

Summary: In this study, the phase transition pathways of single-walled carbon nanotube (SWCNT) bundles under lateral compression are investigated using density functional theory. Several new phases of carbon nanotubes are discovered, and their properties are predicted. The findings have important implications for understanding the phase transition behavior of carbon nanotubes.

JOURNAL OF APPLIED PHYSICS (2023)

Article Physics, Multidisciplinary

Fast atomic crack kinking and branching in WS2

Xing Yang, Bin Zhang

Summary: This study uses molecular dynamics to investigate the dynamic nanocrack propagation in 1T- and 2H-WS2 strips. The effects of T-stress and circumferential stress in linear elastic fracture mechanics are considered. The crack-tip speed experiences rapid acceleration and then oscillation at certain speeds, followed by crack kinking/branching. The critical energy release rates of crack instability are estimated to be different for different types of WS2 strips.

PHYSICA SCRIPTA (2023)

Article Materials Science, Multidisciplinary

Structural transition of single-walled carbon nanotube (6,6) bundles under lateral shocks

Yaomin Li, Bin Zhang

Summary: The dynamic response behavior of SWCNT bundles, which can undergo various structural transitions under different pressures and shock velocities, is investigated using molecular dynamics simulations. The results show that the bundles undergo radial deformation, structural transformation, and liquefaction under different pressure and shock velocity conditions.

DIAMOND AND RELATED MATERIALS (2023)

暂无数据