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We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…

材料科学 · 物理学 2022-01-03 Haikuan Dong , Petri Hirvonen , Zheyong Fan , Ping Qian , Yanjing Su , Tapio Ala-Nissila

Van der Waals (vdW) heterostructures are receiving great attentions due to their intriguing properties and potentials in many research fields. The flow of charge carriers in vdW heterostructures can be efficiently rectified by the…

介观与纳米尺度物理 · 物理学 2017-04-06 Yang Tan , Xiaobiao Liu , Zhiliang He , Yanran Liu , Mingwen Zhao , Han Zhang , Feng Chen

Increased power density in modern microelectronics has led to thermal management challenges which can cause degradation in performance and reliability. In many high-power electronic devices, the power consumption and heat removal are…

介观与纳米尺度物理 · 物理学 2019-10-01 David B. Brown , Thomas L. Bougher , Xiang Zhang , Pulickel Ajayan , Baratunde A. Cola , Satish Kumar

We present first principles study of thermoelectric transport properties of sandwiched heterostructure of Graphene (G)/hexagonal Boron Nitride (BN)/G, based on Boltzmann transport theory for band electrons using the bandstructure calculated…

介观与纳米尺度物理 · 物理学 2016-03-23 Ransell D'Souza , Sugata Mukherjee

Being used in optoelectronic devices as ultra-thin conductor-insulator junctions, detailed investigations are needed about how exactly h-BN and graphene hybridize. Here, we present a comprehensive ab initio study of hot carrier dynamics…

介观与纳米尺度物理 · 物理学 2022-07-01 Sangkha Borah , Dinesh Yadav , Maxim Trushin , Fabian Pauly

The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is investigated via a van der Waals corrected density functional theory approach. It is found that the main role of the van der Waals forces is to "anchor" the layers…

Research on graphene and other two-dimensional (2D) materials, such as silicene, germanene, phosphorene, hexagonal boron nitride (h-BN), graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and molybdenum disulphide (MoS2), has…

材料科学 · 物理学 2016-03-03 Wei Hu , Jinlong Yang

Heat dissipation is a very critical problem for designing nano-functional devices, including MoS2/Graphene heterojunctions. In this paper we investigate thermal transport in MoS2/Graphene hybrid nanosheets under various heating conditions,…

介观与纳米尺度物理 · 物理学 2015-10-20 Zhongwei Zhang , Yuee Xie , Qing Peng , Yuanping Chen

Heterostructures made of stacked 2D materials with different electronic properties are studied for their potential in creating multifunctional devices. Graphene (G) and hexagonal boron nitride (h-BN) van der Waals (vdW) systems have been…

材料科学 · 物理学 2023-03-16 D. P. de Andrade Deus , J. M. J. Lopes , Roberto H. Miwa

High carrier mobilities play a fundamental role for high-frequency electronics, integrated optoelectronics as well as for sensor and spintronic applications, where device performance is directly linked to the magnitude of the carrier…

Recent discovery of a novel hexagonal phase of GeSe (Gamma-GeSe) has triggered great interests in nanoelectronics applications owing to its electrical conductivity of bulk phase even higher than graphite while its monolayer is a…

材料科学 · 物理学 2022-10-19 Changmeng Huan , Pu Wang , Bingtao Liu , Binghan He , Yongqing Cai , Qingqing Ke

Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moir\'e superlattices. This reconstruction redistributes…

材料科学 · 物理学 2025-05-02 Wenwu Jiang , Ting Liang , Hekai Bu , Jianbin Xu , Wengen Ouyang

We investigate interlayer adhesion and relaxation at interfaces between graphene and hexagonal boron nitride (hBN) monolayers in van der Waals heterostructures. The adhesion potential between graphene and hBN is calculated as a function of…

Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…

材料科学 · 物理学 2015-06-25 Yongqing Cai , Gang Zhang , Yong-Wei Zhang

The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic…

介观与纳米尺度物理 · 物理学 2014-06-24 M. Venkata Kamalakar , André Dankert , Johan Bergsten , Tommy Ive , Saroj P. Dash

Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal…

计算物理 · 物理学 2025-05-02 Wenwu Jiang , Hekai Bu , Ting Liang , Penghua Ying , Zheyong Fan , Jianbin Xu , Wengen Ouyang

Layering two-dimensional van der Waals materials provides unprecedented control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-nanometer scale. Here, using spatially-resolved ultrafast…

Combining atomically-thin van der Waals materials into heterostructures provides a powerful path towards the creation of designer electronic devices. The interaction strength between neighboring layers, most easily controlled through their…

介观与纳米尺度物理 · 物理学 2017-01-27 Matthew Yankowitz , K. Watanabe , T. Taniguchi , Pablo San-Jose , Brian J. LeRoy

Chemical and structural diversity present in hexagonal boron nitride ((h-BN) and graphene hybrid nanostructures provide new avenues for tuning various properties for their technological applications. In this paper we investigate the…

材料科学 · 物理学 2015-06-11 Alper Kinaci , Justin B. Haskins , Cem Sevik , Tahir Cagin

In recent years, the hybridization of hyperbolic van der Waals heterostructures with plasmonic two-dimensional nano-materials is one of the interesting research areas at THz frequencies due to the coupled features of the hybrid structure.…