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The interaction between a graphene layer and a hexagonal Boron Nitride (hBN) substrate induces lateral displacements and strains in the graphene layer. The displacements lead to the appearance of commensurate regions and the existence of an…

Mesoscale and Nanoscale Physics · Physics 2014-09-05 Pablo San-Jose , Ángel Gutiérrez , Mauricio Sturla , Francisco Guinea

Man-made artificial graphene has attracted significant attention in the past few years due to the possibilities to construct designer Dirac fermions with unexpected topological properties and applications in nanoelectronics. Here we use a…

Materials Science · Physics 2014-12-10 Matti Ropo , Sami Paavilainen , Jaakko Akola , Esa Räsänen

Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption…

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

We previously show [JETP Letters, {\bf 114}, 763 (2021)] that a graphene sample placed on a ferromagnetic substrate demonstrates a cooperative magnetoelectronic instability. The instability induces a gap in the electronic spectrum and a…

Mesoscale and Nanoscale Physics · Physics 2022-04-29 D. N. Dresviankin , A. V. Rozhkov , A. O. Sboychakov

Graphene, the two-dimensional form of carbon presents outstanding electronic and transport properties. This gives hope for the development of applications in nanoelectronics. However, for industrial purpose, graphene has to be supported by…

Materials Science · Physics 2015-05-13 L. Magaud , F. Hiebel , F. Varchon , P. Mallet , J. -Y. Veuillen

We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by…

Materials Science · Physics 2015-06-15 Ceren Tayran , Zhen Zhu , Matteo Baldoni , Daniele Selli , Gotthard Seifert , David Tománek

In this paper, we have done a comparative study of electronic and magnetic properties of iron phthalocyanine (FePc) and cobalt phthalocyanine (CoPc) molecules physisorbed on monolayer of MoS$_2$ and graphene by using density functional…

Materials Science · Physics 2018-09-05 Soumyajyoti Haldar , Sumanta Bhandary , Hakkim Vovusha , Biplab Sanyal

Two experimental studies reported the spontaneous formation of amorphous and crystalline structures of C60 intercalated between graphene and a substrate. They observed interesting phenomena ranging from reaction between C60 molecules under…

Mesoscale and Nanoscale Physics · Physics 2019-10-21 Alexandre F. Fonseca , Sócrates O. Dantas , Douglas S. Galvão , Difan Zhang , Susan B. Sinnott

We investigate the occurrence of magnetic and charge density wave instabilities in rhombohedral-stacked multilayer (three to eight layers) graphene by first principles calculations including exact exchange. Neglecting spin-polarization, an…

Materials Science · Physics 2017-03-07 Betül Pamuk , Jacopo Baima , Francesco Mauri , Matteo Calandra

In this work, we study the synergistic correlated states in two distinct types of interacting electronic systems coupled by interlayer Coulomb interactions. We propose that this scenario can be realized in a type of Coulomb-coupled…

Mesoscale and Nanoscale Physics · Physics 2023-11-28 Xin Lu , Shihao Zhang , Yaning Wang , Xiang Gao , Kaining Yang , Zhongqing Guo , Yuchen Gao , Yu Ye , Zheng Vitto Han , Jianpeng Liu

We investigate the transport properties of graphene underneath metal to reveal whether the carrier density in graphene underneath source/drain electrodes in graphene field-effect transistors is fixed. The resistance of the graphene/Ni…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 T. Moriyama , K. Nagashio , T. Nishimura , A. Toriumi

Using low-energy electron microscopy, we image in real time the intercalation of a cobalt monolayer between graphene and the (111) surface of iridium. Our measurements reveal that the edges of a graphene flake represent an energy barrier to…

Controlled modulation of electronic band structure in two-dimensional (2D) materials via doping is crucial for devices fabrication. For instance doped graphene has been envisaged for various applications like sensors, super-capacitors,…

Materials Science · Physics 2025-01-08 Imtiaz Noor Bhatti , J. Avila , Z. Chen , A. Baron , Y. Zhang , A. Shukla , P. Dudin

In graphene spintronics, interaction of localized magnetic moments with the electron spins paves a new way to explore the underlying spin relaxation mechanism. A self-assembled layer of organic cobalt-porphyrin (CoPP) molecules on graphene…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 S. Omar , M. Gurram , I. J. Vera-Marun , X. Zhang , E. H. Huisman , A. Kaverzin , B. L. Feringa , B. J. van Wees

The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…

For a system of two spatially separated monoatomic graphene layers encapsulated in hexagonal boron nitride, we consider the drag effect between charge carriers in the Fermi liquid regime. Commonly, the phenomenon is described in terms of an…

Mesoscale and Nanoscale Physics · Physics 2012-10-02 Bruno Amorim , Jürgen Schiefele , Fernando Sols , Francisco Guinea

In monolayer graphene, substitutional doping during growth can be used to alter its electronic properties. We used scanning tunneling microscopy (STM), Raman spectroscopy, x-ray spectroscopy, and first principles calculations to…

Controlling the type and density of charge carriers by doping is the key step for developing graphene electronics. However, direct doping of graphene is rather a challenge. Based on first-principles calculations, a concept of overcoming…

Mesoscale and Nanoscale Physics · Physics 2011-07-26 Bing Huang , Hongjun Xiang , Su-Huai Wei

The role of graphene in mediating the exchange interaction is theoretically investigated when it is placed between two ferromagnetic dielectric materials. The calculation based on a tight-binding model illustrates that the magnetic…

Materials Science · Physics 2009-11-13 Y. G. Semenov , J. M. Zavada , K. W. Kim

Graphene supported on a substrate in contact with water underpins a wide range of processes and technologies, yet its wettability remains controversial. Understanding how substrate charges and graphene's properties influence water…

Chemical Physics · Physics 2025-11-11 Yongkang Wang , Yair Litman , Minhaeng Cho , Stephen Cox , Mischa Bonn