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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…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Ransell D'Souza , Sugata Mukherjee

The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Van-Truong Tran , Jérôme Saint Martin , Philippe Dollfus

Hexagonal boron nitride (BN), one of the very few layered insulators, plays a crucial role in 2D materials research. In particular, BN grown with a high pressure technique has proven to be an excellent substrate material for graphene and…

Mesoscale and Nanoscale Physics · Physics 2020-06-19 J. Sonntag , J. Li , A. Plaud , A. Loiseau , J. Barjon , J. H. Edgar , C. Stampfer

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…

Mesoscale and Nanoscale Physics · Physics 2019-10-01 David B. Brown , Thomas L. Bougher , Xiang Zhang , Pulickel Ajayan , Baratunde A. Cola , Satish Kumar

Atomically thin monolayers of graphene show excellent electronic properties which have led to a great deal of research on their use in nanoscale devices. However, heat management of such nanoscale devices is essential in order to improve…

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…

Materials Science · Physics 2022-01-03 Haikuan Dong , Petri Hirvonen , Zheyong Fan , Ping Qian , Yanjing Su , Tapio Ala-Nissila

A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted. Homogeneous graphene and h-BN interfaces exhibit strong…

Mesoscale and Nanoscale Physics · Physics 2026-04-30 Wenwu Jiang , Huasong Qin , Yilun Liu , Wengen Ouyang , Oded Hod , Michael Urbakh

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…

Among the van der Waals heterostructures, graphene/h-BN heterostructure is an appropriate candidate for 2D nanoelectronic devices. In this paper, using non-equilibrium molecular dynamics simulation approach, heat transport in bilayer…

Materials Science · Physics 2022-05-31 M. Sadegh Alborzi , Ali Rajabpour

Polymer composites with thermally conductive nanoscale filler particles, such as graphene and hexagonal boron nitride (h-BN), are promising for certain heat transfer applications. While graphene-polymer composites have been extensively…

Applied Physics · Physics 2017-12-04 Ruimin Ma , Xiao Wan , Teng Zhang , Nuo Yang , Tengfei Luo

We review experimental and theoretical results on thermal transport in semiconductor nanostructures (multilayer thin films, core/shell and segmented nanowires), single- and few-layer graphene, hexagonal boron nitride, molybdenum disulfide…

Mesoscale and Nanoscale Physics · Physics 2018-06-13 Alexandr I. Cocemasov , Calina I. Isacova , Denis L. Nika

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…

Materials Science · Physics 2015-06-25 Yongqing Cai , Gang Zhang , Yong-Wei Zhang

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

Materials Science · Physics 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

Hexagonal boron nitride (h-BN) is a two dimensional (2D) layered insulator with superior dielectric performance that offers excellent interaction with other 2D materials (e.g. graphene, MoS2). Large-area h-BN can be readily grown on…

We report the transport properties of monolayer and bilayer graphene from first principles calculations and Boltzmann transport theory (BTE). Our resistivity studies on monolayer graphene show Bloch-Gr${\rm \ddot{u}}$neisen behavior in a…

Materials Science · Physics 2017-03-02 Ransell D'Souza , Sugata Mukherjee

Nanostructures exhibit unusual properties due to the dominance of quantum mechanical effects. In addition, the geometry of a nanostructure can have a strong influence on its physical properties. Using the tight-binding (TB) and…

Materials Science · Physics 2024-02-13 M. Amir Bazrafshan , Farhad Khoeini

Two-dimensional (2D) materials like graphene and h-BN usually show high thermal conductivity, which enables rich applications in thermal dissipation and nanodevices. Disorder, on the other hand, is often present in 2D materials. Structural…

Materials Science · Physics 2022-06-01 Yu-Tian Zhang , Yun-Peng Wang , Yu-Yang Zhang , Shixuan Du , Sokrates T. Pantelides

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…

Mesoscale and Nanoscale Physics · Physics 2010-09-28 Oleg V. Yazyev , Steven G. Louie

We report on the thermal and electrical properties of hybrid epoxy composites with graphene and boron nitride fillers. The thicknesses, lateral dimensions, and aspect ratios of each filler material were intentionally selected for geometric…

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