Article
Chemistry, Multidisciplinary
Abhijit Biswas, Rui Xu, Gustavo A. Alvarez, Jin Zhang, Joyce Christiansen-Salameh, Anand B. Puthirath, Kory Burns, Jordan A. Hachtel, Tao Li, Sathvik Ajay Iyengar, Tia Gray, Chenxi Li, Xiang Zhang, Harikishan Kannan, Jacob Elkins, Tymofii S. Pieshkov, Robert Vajtai, A. Glen Birdwell, Mahesh R. Neupane, Elias J. Garratt, Tony G. Ivanov, Bradford B. Pate, Yuji Zhao, Hanyu Zhu, Zhiting Tian, Angel Rubio, Pulickel M. Ajayan
Summary: This study proposes a simple and scalable method to generate twisted-interface-dependent properties by directly depositing a two-dimensional nanocrystalline film on a three-dimensional substrate. Experimental results show that the nanocrystalline film exhibits nonlinear second-harmonic generation and ultra-low thermal conductivity, which can be attributed to the twisted domain edges.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Seokjun Kim, Byeongwan Kim, Seonha Park, Won Seok Chang, Haeyong Kang, Seokho Kim, Habeom Lee, Songkil Kim
Summary: The electrical transport properties of graphene field-effect transistors (FETs) can be greatly enhanced when graphene is supported by a high-quality hexagonal boron nitride (h-BN) layer. Chemical vapor deposition (CVD) grown h-BN can have surface defects and impurities, which result in different electrical transport properties compared to mechanically exfoliated h-BN layers. Surface defects and impurities on the supporting h-BN layer induce p-doping and hysteresis in h-BN/graphene/h-BN FETs, which can be controlled by modulating a back-gate voltage. The presence of these defects and impurities allows for dynamic modulation of electrical charge states, making them useful for memristive devices or sensors.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xingan Jiang, Xiangping Zhang, Xiangyan Han, Jianming Lu, Xueyun Wang, Jiawang Hong
Summary: In this study, the stacking heterostructure of graphene on bulk h-BN was observed using lateral force microscopy. The topographic corrugation of the moire pattern was found to induce considerable curvature and flexoelectric response, with a huge curvature of approximately 10(7) m(-1) and a flexoelectric potential of approximately 10 mV. The domain walls of the moire pattern also exhibited electromechanical and frictional response due to the corrugation-induced flexoelectric response.
Article
Nanoscience & Nanotechnology
Hui Yang, Bojun Wang, Xiaobin Niu, Guo-Ping Guo
Summary: The study developed a proximity catalysis route for fast growth of graphene/h-BN vertical heterostructures on Cu foils, with high synthesis efficiency and good crystalline quality graphene. The key advantage lies in introducing fresh Cu foil as a catalyst, where Cu vapor reduces the energy barrier of graphene growth at high temperatures.
Article
Materials Science, Multidisciplinary
Wenjing Miao, Xinwen Gai, Jing Yu, Ying Jin, Jingang Wang
Summary: This study investigated the optical absorption and electronic properties of graphene nanosheets encapsulated in h-BN at different twisted angles. The results showed a red shift in absorption peak and a decrease in molar absorption coefficient for the encapsulated graphene nanosheets compared to monolayer graphene. Furthermore, the twisted angles affected the distribution breadth of electron hole pair density and charge density difference.
MATERIALS RESEARCH EXPRESS
(2022)
Article
Chemistry, Physical
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
Physics, Applied
Yuta Seo, Satoru Masubuchi, Momoko Onodera, Yijin Zhang, Rai Moriya, Kenji Watanabe, Takashi Taniguchi, Tomoki Machida
Summary: We demonstrate twist-controlled resonant tunneling in a monolayer graphene/hexagonal boron nitride/ABA-stacked trilayer graphene van der Waals junction. By aligning the graphene flakes with a small twist angle, resonant tunneling attributed to the conservation of momentum and energy between the two layers was observed, providing a method to determine band parameters and probe the band dispersion of different materials.
APPLIED PHYSICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Wenhao Sha, Xuan Dai, Siyu Chen, Fenglin Guo
Summary: This study explores the phonon thermal transport properties in graphene/h-BN superlattice monolayers using different methods and finds a transition from coherent to incoherent transport with increasing periodic length, as well as the existence of a minimum thermal conductivity.
DIAMOND AND RELATED MATERIALS
(2022)
Article
Chemistry, Physical
Huabing Shu, Xiaomei Liu
Summary: In this study, the effects of surface modification (fluorination) on the electronic and optical properties of graphene/h-BN heterobilayer were theoretically explored. The results show that after fluorination, the heterobilayer adopts a diamane-like configuration, which remains stable at high temperatures. The fluorinated graphene/h-BN is found to be a wide-gap direct semiconductor, and its optical absorption spectrum is dominated by discrete excitonic peaks with a large exciton binding energy. The interfacial atom bonding, particularly the C-B bonding configuration, significantly affects the electronic and optical properties. Therefore, fluorination-induced interfacial sp(3) atom bonding could play a crucial role in tuning the optoelectronic performance of graphene/h-BN heterobilayers.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Xian Wang, Yingqi Cui, Xiangyu Huo, Li Zhang, Mingli Yang
Summary: Recent advances in the precise preparation, process, and manipulation of multilayer graphene quantum dots have made it possible to engineer their energy gaps (Δε) by tuning various factors. However, the coupling mechanism among these operations is not yet clear. Through first-principles calculations, this study investigates the Δε variations of multilayer graphene quantum dots under different stacking thickness, twist angle, and field strength. The combination of these operations widens the Δε windows and generates quasi-continuous Δε variations. Understanding the coupling mechanism is crucial for controlling the band gaps of multilayer graphene quantum dots in optoelectronic applications.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Xin Wu, Qiang Han
Summary: By studying the topological defects of two-dimensional in-plane heterostructures, it was found that the interface thermal conductance can be significantly improved by controlling the defective concentration and system temperature. The different defective objects lead to radically different trends in the improvement of ITC.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Electrochemistry
Xue Yang, Renhui Zhang, Jibin Pu, Zhongyi He, Liping Xiong
Summary: Graphene and h-BN, as two-dimensional materials, have excellent properties for protective coatings, but their performance can be further enhanced when used in combination.
Article
Chemistry, Physical
Guoqing Wang, Gai Zhao, Jingfu Song, Qingjun Ding
Summary: In this study, graphene nanosheet and hexagonal boron nitride (h-BN) were coated onto the surface of copper to improve its wear resistance. The nano-tribological properties were studied by molecular dynamics (MD) simulation, which showed a 50% reduction in friction coefficient for copper coated with h-BN and graphene compared with pure copper. The lubrication mechanisms of h-BN and graphene were discussed by monitoring van der Waals (vdW) force, slippage, system energy, and temperature variations during friction.
APPLIED SURFACE SCIENCE
(2022)
Article
Engineering, Electrical & Electronic
D. C. Ngoufack Guimapi, A. E. Merad, A. J. Fotue, C. Kenfack-Sadem
Summary: We conducted ab initio DFT calculations to investigate the impact of BN layer on the electronic and optical properties of graphene. The electronic properties were calculated for graphene/h-BN bilayers using the GGA and mBJ exchange potential. We evaluated the dielectric function, absorption spectrum, and EELS of the bilayers in both parallel and perpendicular directions. Our results revealed a slight gap opening at the K-point near the Dirac cone in the band structure of graphene/h-BN bilayers. Additionally, the inclusion of a boron nitride layer had different effects on EELS depending on the polarization type. Our findings demonstrated that BN-doped graphene exhibited a superior gap value compared to graphene/h-BN bilayers. However, adding a BN layer also enhanced the electronic and optical properties of graphene, making it promising for nanotechnology applications.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Materials Science, Multidisciplinary
Cheng Ding, Yue Chen, Jin Yang, Feifei Wang, Shibin Lu, Xing Li, Yuehua Dai
Summary: This study systematically investigates the interface characteristics, adsorption and migration behaviors of Ti metal on pristine and defective graphene intercalation. It is found that the presetting of single vacancy defect is the critical factor controlling ion penetration in the intercalation process.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Xiujin Yang, Hong Tian, Bin Zhang
INTERNATIONAL JOURNAL OF FRACTURE
(2018)
Article
Mechanics
Hong Tian, Xiujin Yang, Gang Yang, Bin Zhang
ENGINEERING FRACTURE MECHANICS
(2018)
Article
Materials Science, Multidisciplinary
Hanqi Zhang, Bin Zhang
COMPUTATIONAL MATERIALS SCIENCE
(2018)
Article
Materials Science, Multidisciplinary
Hong Tian, Bin Zhang, Q. M. Li
MECHANICS OF MATERIALS
(2019)
Article
Physics, Applied
Hong Tian, Feng Pan, Bin Zhang
JOURNAL OF APPLIED PHYSICS
(2020)
Article
Chemistry, Physical
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
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
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
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
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
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
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
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.
Article
Materials Science, Multidisciplinary
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)