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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

Graphite nanofibers (GNFs) have been demonstrated to be a promising material for hydrogen storage and heat management in electronic devices. Here, by means of first-principles and transport simulations, we show that GNFs can also be an…

Mesoscale and Nanoscale Physics · Physics 2017-09-15 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

Porous graphene (PG) is a graphene derivative endowed of nanoporous architectures. This material possesses a particular structure with interconnected networks of high pore volume, producing membranes with a large surface area. Experiments…

Materials Science · Physics 2020-12-16 Marcelo Lopes Pereira Junior , Luiz Antonio Ribeiro Junior

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…

Materials Science · Physics 2015-06-11 Alper Kinaci , Justin B. Haskins , Cem Sevik , Tahir Cagin

The extremely high thermal conductivity of graphene has received great attention both in experiments and calculations. Obviously, new feature in thermal properties is of primary importance for application of graphene-based materials in…

Materials Science · Physics 2018-08-10 Haifei Zhan , Gang Zhang , Chunhui Yang , Yuantong Gu

In this report, we present Raman spectroscopy investigation of the thermal stability and dynamics of graphene edges. It was found that graphene edges (both armchair and zigzag) are not stable and undergo modifications even at temperature as…

Materials Science · Physics 2010-12-15 Ya Nan Xu , Da Zhan , Lei Liu , Hui Suo , Zhen Hua Ni , Thuong Thuong Nguyen , Chun Zhao , Ze Xiang Shen

Graphene nanoflakes are interesting because electrons are naturally confined in these quasi-zero-dimensional structures, whereas confinement in bulk graphene would require a band gap. Vacancies inside the graphene lattice lead to localized…

Mesoscale and Nanoscale Physics · Physics 2015-04-06 Matthias Droth , Guido Burkard

Understanding the energy transport by charge carriers and phonons in two-dimensional (2D) van der Waals heterostructures is essential for the development of future energy-efficient 2D nanoelectronics. Here, we performed in situ spatially…

Mesoscale and Nanoscale Physics · Physics 2017-11-21 Daehee Kim , Hanul Kim , Wan Soo Yun , Kenji Watanabe , Takashi Taniguchi , Heesuk Rho , Myung-Ho Bae

This study investigates the strong photoluminescence (PL) and X-ray excited optical luminescence observed in nitrogen-functionalized 2D graphene nanoflakes (GNFs:N), which arise from the significantly enhanced density of states in the…

Geometry, stability, and thermal transport of graphene nanoquilts folded by hydrogenation are studied using molecular dynamics simulations. The hydrogenated graphene nanoquilts show increased thermodynamic stability and better transport…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 Zhongwei Zhang , Yuee Xie , Qing Peng , Yuanping Chen

Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and…

The authors report on synthesis and thermal properties of the electrically-conductive thermal interface materials with the hybrid graphene-metal particle fillers. The thermal conductivity of resulting composites was increased by ~500% in a…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Vivek Goyal , Alexander A. Balandin

Graphynes and graphdiynes are carbon 2D allotrope structures presenting both sp2 and sp hybridized atoms. These materials have been theoretically predicted but due to intrinsic difficulties in their synthesis, only recently some of these…

Mesoscale and Nanoscale Physics · Physics 2017-02-21 Daniel Solis , Cristiano F. Woellner , Daiane D. Borges , Douglas S. Galvao

The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86…

Materials Science · Physics 2015-03-17 Z. M. Ao , A. D. Hernández-Nieves , F. M. Peeters , S. Li

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 investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-junctions. Our analysis shows that functionalization can be…

Materials Science · Physics 2012-03-30 Caterina Cocchi , Alice Ruini , Deborah Prezzi , Marilia J. Caldas , Elisa Molinari

We demonstrate cooling of the center of mass motion of charged graphene nanoplatelets levitated in a quadrupole ion trap in high vacuum down to temperatures of 20 K. Parametric feedback based on optical measurements of particle motion was…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Pavel Nagornykh , Joyce E. Coppock , B. E. Kane

Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…

Mesoscale and Nanoscale Physics · Physics 2011-01-28 Norio Ota , Narjes Gorjizadeh , Yoshiyuki Kawazoe

Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nano-clusters $C_{N}$ with N=2-55. The minimum energy configurations for…

Materials Science · Physics 2013-04-23 Sandeep Kumar Singh , M. Neek-Amal , F. M. Peeters

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. Graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission…