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Related papers: Thermal van der Waals Interaction between Graphene…

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Although density functional theory (DFT) in principle includes even long-range interactions, standard implementations employ local or semi-local approximations of the interaction energy and fail at describing the van der Waals interactions.…

Soft Condensed Matter · Physics 2007-05-23 S. D. Chakarova , E. Schroder

The extreme versatility of two-dimensional van der Waals (vdW) materials derives from their ability to exhibit new electronic properties when assembled in proximity with dissimilar crystals. For example, although graphene is inherently…

The subject of thermal transport at the mesoscopic scale and in low-dimensional systems is interesting for both fundamental research and practical applications. As the first example of truly two-dimensional materials, graphene has…

Materials Science · Physics 2014-06-10 Yong Xu , Zuanyi Li , Wenhui Duan

Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…

Materials Science · Physics 2023-05-23 H. D. Etea , K. N. Nigussa

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

Interfacial adhesion between graphene and a SiO2 substrate is studied by density functional theory (DFT) with dispersion corrections. The results demonstrate the van der Waals (vdW) interaction as the predominate mechanism for the…

Materials Science · Physics 2015-06-19 Wei Gao , Penghao Xiao , Graeme Henkelman , Kenneth M. Liechti , Rui Huang

In this paper, we propose van del Waals heterostructure-based thermionic devices for the applications in cooling and power generation in the temperature range of 300 to 400 K. By using two-dimensional materials of low cross-plane thermal…

Mesoscale and Nanoscale Physics · Physics 2015-09-07 Shi-Jun Liang , Lay Kee Ang

We aim to understand how the van der Waals force between neutral adatoms and a graphene layer is modified by uniaxial strain and electron correlation effects. A detailed analysis is presented for three atoms (He, H, and Na) and graphene…

Mesoscale and Nanoscale Physics · Physics 2016-05-11 Nathan S. Nichols , Adrian Del Maestro , Carlos Wexler , Valeri N. Kotov

The Casimir force between graphene sheets is investigated with emphasis on the effect from spatial dispersion using a combination of factors, such as a nonzero chemical potential and an induced energy gap. We distinguish between two regimes…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 D. Drosdoff , A. D. Phan , L. M. Woods , I. V. Bondarev , J. F. Dobson

Using the recently developed polarization tensor in (2+1) dimensions for the electronic excitations of graphene, we investigate the influence of temperature on the surface plasmons on graphene. We consider non-zero mass gap, but zero…

Mesoscale and Nanoscale Physics · Physics 2016-06-02 M. Bordag , I. Pirozhenko

We adopt the Dirac model for quasiparticles in graphene and calculate the finite temperature Casimir interaction between a suspended graphene layer and a parallel conducting surface. We find that at high temperature the Casimir interaction…

High Energy Physics - Theory · Physics 2013-05-29 Ignat V. Fialkovsky , Valery N. Marachevsky , Dmitri V. Vassilevich

As mechanical structures enter the nanoscale regime, the influence of van der Waals forces increases. Graphene is attractive for nanomechanical systems because its Young's modulus and strength are both intrinsically high, but the mechanical…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Steven P. Koenig , Narasimha G. Boddeti , Martin L. Dunn , J. Scott Bunch

The van der Waals interaction between a lipid membrane and a substrate covered by a graphene sheet is investigated using the Lifshitz theory. The reflection coefficients are obtained for a layered planar system submerged in water. The…

Mesoscale and Nanoscale Physics · Physics 2013-11-22 Anh D. Phan , Trinh X. Hoang , The-Long Phan , Lilia M. Woods

Large area van der Waals (vdW) thin films are assembled materials consisting of a network of randomly stacked nanosheets. The multi-scale structure and the two-dimensional nature of the building block mean that interfaces naturally play a…

The Casimir and Casimir-Polder interactions are investigated in a stack of equally spaced graphene layers. The optical response of the individual graphene is taken into account using gauge invariant components of the polarization tensor…

Mesoscale and Nanoscale Physics · Physics 2021-03-10 Nail Khusnutdinov , Rashid Kashapov , Lilia M. Woods

With use of simulated friction force microscopy, we study the effect of varying temperature on the frictional properties of suspended graphene. In contrast with the theory of thermally activated friction on the surfaces of three-dimensional…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 A. Smolyanitsky

In this study we report our numerical results on finite temperature non-interacting dynamical polarization function, plasmon modes and electron energy loss function of doped single layer gapped graphene within the random phase…

Mesoscale and Nanoscale Physics · Physics 2015-04-07 Digish K. Patel , Syed S. Z. Ashraf , Ami C. Sharma

A novel concept of membrane process in thermal-driven system is proposed for water desalination. By means of molecular dynamics simulations, we show fast water transport through graphene galleries at a temperature gradient. Water molecules…

Soft Condensed Matter · Physics 2018-10-29 Bo Chen , Haifeng Jiang , Huidong Liu , Kang Liu , Xiang Liu , Xuejiao Hu

We extend the method of Silvestrelli [P. L. Silvestrelli, J. Chem. Phys. 139, 054106 (2013)] to approximate long-range van der Waals interactions at the density functional theory level based on maximally localized Wannier functions combined…

Materials Science · Physics 2015-04-21 Pouya Partovi-Azar , T. D. Kühne

We extract experimentally the electronic thermal conductivity, $K_{e}$, in suspended graphene which we dope using a back-gate electrode. We make use of two-point dc electron transport at low bias voltages and intermediate temperatures (50 -…

Mesoscale and Nanoscale Physics · Physics 2014-01-15 S. Yigen , A. R. Champagne