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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…

While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…

Graphene field-effect transistors are fabricated utilizing single-crystal hexagonal boron nitride (h-BN), an insulating isomorph of graphene, as the gate dielectric. The devices exhibit mobility values exceeding 10,000 cm2/V-sec and current…

Mesoscale and Nanoscale Physics · Physics 2016-11-18 I. Meric , C. R. Dean , A. F. Young , J. Hone , P. Kim , K. L. Shepard

Two-dimensional materials, such as graphene, boron nitride and transition metal dichalcogenides, have attracted increased interest due to their potential applications in electronics and optoelectronics. Thermal transport in two-dimensional…

Materials Science · Physics 2017-03-07 Xiaokun Gu , Ronggui Yang

Graphynes are 2D porous structures deriving from graphene featuring triangular and regularly distributed subnanometer pores, which may be exploited to host small gaseous species. First principles adsorption energies of molecular hydrogen…

Chemical Physics · Physics 2015-10-06 Massimiliano Bartolomei , Estela Carmona-Novillo , Giacomo Giorgi

The field of graphene research has developed rapidly since its first isolation by mechanical exfoliation in 2004. Due to the relativistic Dirac nature of its charge carriers, graphene is both a promising material for next-generation…

Mesoscale and Nanoscale Physics · Physics 2014-07-09 Matthew Yankowitz , Jiamin Xue , Brian J. LeRoy

We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across…

Soft Condensed Matter · Physics 2009-11-11 Christoph Dellago , Gerhard Hummer

Permeation through nanometer pores is important in the design of materials for filtration and separation techniques and because of unusual fundamental behavior arising at the molecular scale. We found that submicron-thick membranes made…

Materials Science · Physics 2012-01-30 R. R. Nair , H. A. Wu , P. N. Jayaram , I. V. Grigorieva , A. K. Geim

Most recently, boron-graphdiyne, a {\pi}-conjugated two-dimensional (2D) structure made from merely sp carbon skeleton connected with boron atoms was successfully experimentally realized through a bottom-to-up synthetic strategy. Motivated…

Computational Physics · Physics 2018-05-14 Bohayra Mortazavi , Masoud Shahrokhi , Xiaoying Zhuang , Timon Rabczuk

In recent years, two-dimensional boron sheets (borophene) have been experimentally synthesized and theoretically observed as promising conductor or transistor with novel thermal and electronic properties. We first give a general survey of…

Materials Science · Physics 2018-03-16 Dengfeng Li , Ying Chen , Jia He , Qiqi Tang , Chengyong Zhong , Guangqian Ding

Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…

Chemical Physics · Physics 2016-08-02 Yinghua Qiu , Kun Li , Weiyu Chen , Wei Si , Qiyan Tan , Yunfei Chen

New classes 2D carbon-based materials beyond graphene have been intensively studied for their promising applications in nano-/opto-/spin-electronics, catalysis, sensors, clean energy, etc. Very recently, the controllable large-scale…

Materials Science · Physics 2019-04-02 Guangzhao Qin , Zhenzhen Qin , Huimin Wang , Jianjun Hu , Ming Hu

We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not…

Materials Science · Physics 2009-11-13 O. Leenaerts , B. Partoens , F. M. Peeters

Very recently, a new graphene-like crystalline, hole-free, 2D-single-layer carbon nitride C3N, has been fabricated by polymerization of 2,3-diaminophenazine and used to fabricate a field-effect transistor device with an on-off current ratio…

Computational Physics · Physics 2017-09-27 Yan Gao , Haifeng Wang , Maozhu Sun , Yingchun Ding , Lichun Zhang , Qingfang Li , Jidong Zhang

Graphene-hexagonal boron nitride (hBN) scalable heterostructures are pivotal for the development of graphene-based high-tech applications. In this work, we demonstrate the realization of high-quality graphene-hBN heterostructures entirely…

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…

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

The peculiar nature of electron scattering in graphene is among many exciting theoretical predictions for the physical properties of this material. To investigate electron scattering properties in a graphene plane, we have created a…

Mesoscale and Nanoscale Physics · Physics 2007-06-19 B. Huard , J. A. Sulpizio , N. Stander , K. Todd , B. Yang , D. Goldhaber-Gordon

Heterostructures made from van der Waals materials provide a template to investigate proximity effects at atomically sharp heterointerfaces. In particular, near-field charge and energy transfer in heterostructures made from semiconducting…

The graphene is a native two-dimensional crystal material consisting of a single sheet of carbon atoms. In this unique one-atom-thick material, the electron transport is ballistic and is described by a quantum relativistic-like Dirac…

Quantum Physics · Physics 2007-05-23 Daniela Dragoman , Mircea Dragoman