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MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…

Mesoscale and Nanoscale Physics · Physics 2019-02-27 Rui Li , Weiwei Sun , Cheng Zhan , Paul R. C. Kent , De-en Jiang

Using periodic DFT, we examined the adsorption of NO2, NH3, and O3 on the h-BN side of a graphene/h-BN heterostructure designed as a model gas sensor material. The h-BN overlayer serves both as an active adsorption surface and as protection…

Materials Science · Physics 2026-03-17 Martin Siebel , Pavel Rubin , Raivo Jaaniso

The vertical integration of multiple two-dimensional (2D) materials in heterostructures, held together by van der Waals forces, has opened unprecedented possibilities for modifying the (opto-)electronic properties of nanodevices. Graphene,…

In the past decade graphene has been one of the most studied material for several unique and excellent properties. Due to its two dimensional nature, physical and chemical properties and ease of manipulation, graphene offers the possibility…

Mesoscale and Nanoscale Physics · Physics 2016-01-05 Antonio Di Bartolomeo

In this work, we demonstrate interfacial charge transfer-driven transport enhancement in few-layer graphene monolayer MoS2 vertical heterostructure field-effect transistor. Raman scattering and Raman intensity mapping results confirm the…

Topology and electron interactions are two central themes in modern condensed matter physics. Here we propose graphene based systems where both the band topology and interaction effects can be simply controlled with electric fields. We…

Strongly Correlated Electrons · Physics 2019-02-20 Ya-Hui Zhang , Dan Mao , Yuan Cao , Pablo Jarillo-Herrero , T. Senthil

We demonstrate a graphene-MoS2 architecture integrating multiple field-effect transistors and we independently probe and correlate the conducting properties of van der Waals coupled graphene-MoS2 contacts with the ones of the MoS2 channels.…

Graphene is a privileged 2D platform for hosting confined light-matter excitations known as surface plasmon-polaritons (SPPs), as it possesses low intrinsic losses with a high degree of optical confinement. However, the inherently isotropic…

Graphene is a two-dimensional (2D) semimetal with high mobility in charge carriers due to the existence of Dirac points. Silicene is another promising material, with properties analog to graphene. Many silicon (Si) based electronic devices…

Materials Science · Physics 2021-09-07 K M Abeywickrama , P K D D P Pitigala , W W P De Silva

The conductance, the transmission and the reflection probabilities through rectangular potential barriers and pn-junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the…

Mesoscale and Nanoscale Physics · Physics 2013-05-28 B. Van Duppen , F. M. Peeters

We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to…

Mesoscale and Nanoscale Physics · Physics 2011-01-21 M. Barbier , P. Vasilopoulos , F. M. Peeters , J. Milton Pereira

Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, first-principles calculations are performed to study the…

Materials Science · Physics 2015-05-15 Wei Hu , Tian Wang , Jinlong Yang

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

High mobility is a crucial requirement for a large variety of electronic device applications. The state-of-the-art for high quality graphene devices is based on heterostructures made with graphene encapsulated in $>80\,$nm-thick flakes of…

Mesoscale and Nanoscale Physics · Physics 2022-07-27 Karuppasamy Pandian Soundarapandian , Domenico De Fazio , Sefaattin Tongay , Frank H. L. Koppens

Interfacial interactions allow the electronic properties of graphene to be modified, as recently demonstrated by the appearance of satellite Dirac cones in the band structure of graphene on hexagonal boron nitride (hBN) substrates. Ongoing…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Zhe Wang , Dong-Keun Ki , Hua Chen , Helmuth Berger , Allan H. MacDonald , Alberto F. Morpurgo

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

Graphene interfaced with a semiconductor forms a Schottky junction with rectifying properties, however, fluctuations in the Schottky barrier height are often observed. In this work, Schottky junctions are fabricated by transferring chemical…

Materials Science · Physics 2015-05-20 D. Tomer , S. Rajput , L. J. Hudy , C. H. Li , L. Li

Rhombohedral multilayer graphene, with its flat electronic bands and concentrated Berry curvature, is a promising material for the realization of correlated topological phases of matter. When aligned to an adjacent hexagonal boron nitride…

Mesoscale and Nanoscale Physics · Physics 2025-09-16 Samuel H. Aronson , Tonghang Han , Zhengguang Lu , Yuxuan Yao , Kenji Watanabe , Takashi Taniguchi , Long Ju , Raymond C. Ashoori

Interface interactions in 2D vertically stacked heterostructures play an important role in optoe-lectronic applications, photodetectors based on graphene/InSe heterostructures had shown promising performance nowadays. However, nonlinear…

Optics · Physics 2023-05-12 Jialin Li , Lizhen Wang , Yuzhong Chen , Yujie Li , Haiming Zhu , Linjun Li , Limin Tong1

Ultrathin films of topological Dirac semimetal, Na$_3$Bi, has recently been revealed as an unusual electronic materials with field-tunable topological phases. Here we investigate the electronic and transport properties of ultrathin Na$_3$Bi…

Mesoscale and Nanoscale Physics · Physics 2020-05-14 Liemao Cao , Guanghui Zhou , Qingyun Wu , Shengyuan A. Yang , Hui Ying Yang , Yee Sin Ang , L. K. Ang