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This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…

Mesoscale and Nanoscale Physics · Physics 2012-07-31 Priyamvada Jadaun , Bhagawan R. Sahu , Leonard F. Register , Sanjay K. Banerjee

Networks of graphene-based topological domain walls function as nano-scale interferometers of zero-line modes, with magnetic field and(or) scalar potential as the controlling parameters. In the absence of externally applied magnetic or…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 Ma Luo

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

In the quest for better energy storage solutions, the role of designing effective electrodes is crucial. Previous research has shown that using materials like single-side fluorinated graphene can improve the stability of ion insertion in…

Materials Science · Physics 2024-08-28 Yu-Hsiu Lin , Jose L. Mendoza-Cortes

We report a theoretical study suggesting a novel type of electronic switching effect, driven by the geometrical reconstruction of nanoscale graphene-based junctions. We considered junction struc- tures which have alternative metastable…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 T. Kawai , M. Poetschke , Y. Miyamoto , C. G. Rocha , S. Roche , G. Cuniberti

We investigate electronic transport property of a graphene monolayer covered by a graphene nanoribbon. We demonstrate that electronic transmission of a monolayer can be reduced when covered by a nanoribbon. The transmission reduction occurs…

Materials Science · Physics 2013-10-23 Daniel Valencia , Jun-Qiang Lu , Jian Wu , Feng Liu , Feng Zhai , Yong-Jin Jiang

Strain engineering is one of the key technologies for using graphene as an electronic device: the strain-induced pseudo-gauge field reflects Dirac electrons, thus opening the so-called conduction gap. Since strain accumulates in…

Mesoscale and Nanoscale Physics · Physics 2021-01-08 Masahiko Hayashi , Hideo Yoshioka , Hikari Tomori , Akinobu Kanda

Nanostructuring materials at small scales enables control over their physical properties, revealing behaviors not observed at larger dimensions. This strategy is particularly effective in two-dimensional (2D) materials, where surface…

Graphene has been recognized as an attractive two-dimensional material for fundamental research and wide applications in electronic and photonic devices owing to its unique properties. The technologies to modulate the properties of graphene…

Optics · Physics 2016-01-26 Yang Tan , Zhen Shang , Shavkat Akhmadaliev , Shengqiang Zhou , Feng Chen

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

We formulate a theory of transport in graphene bilayers in the weak momentum scattering regime in such a way as to take into account contributions to the electrical conductivity to leading and next-to-leading order in the scattering…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Dimitrie Culcer , R. Winkler

The electromagnetic response of bilayer graphene in a magnetic field is studied in comparison with that of monolayer graphene. Both types of graphene turn out to be qualitatively quite similar in dielectric and screening characteristics,…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 T. Misumi , K. Shizuya

Since the discovery of graphene -a single layer of carbon atoms arranged in a honeycomb lattice - it was clear that this truly is a unique material system with an unprecedented combination of physical properties. Graphene is the thinnest…

Mesoscale and Nanoscale Physics · Physics 2011-05-10 S. Russo , M. F. Craciun , T. Khodkov , M. Koshino , M. Yamamoto , S. Tarucha

We theoretically investigate the electronic transport properties of curved graphene waveguides by employing non-equilibrium Green's function techniques. We systematically study the dependence of the confined waveguide modes on the potential…

Mesoscale and Nanoscale Physics · Physics 2018-08-01 Vahid Mosallanejad , Ke Wang , Zhenhua Qiao , Guoping Guo

With the motivation of improving the performance and reliability of aggressively scaled nano-patterned graphene field-effect transistors, we present the first systematic experimental study on charge and current distribution in multilayer…

Mesoscale and Nanoscale Physics · Physics 2009-09-11 Yang Sui , Joerg Appenzeller

Graphene is an interesting debated topic between scientists because of its unique properties such as tunable conductivity. Graphene conductivity can be varied by either electrostatic or magnetostatic gating or via chemical doping, which…

Moir\'e lattices provide a highly tunable platform for exploring the interplay between electronic correlations and band topology. Introducing a second moir\'e pattern extends this paradigm: interference between the two moir\'e patterns…

Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…

Materials Science · Physics 2015-05-19 Bhagawan Sahu , Hongki Min , Sanjay K. Banerjee

The interaction of highly-charged ions with monolayers of graphene and MoS2 is theoretically investigated based on nonequilibrium Green Functions (NEGF). In a recent paper [Niggas et al., Phys. Rev. Lett. 129, 086802 (2022)] dramatic…

Mesoscale and Nanoscale Physics · Physics 2025-11-07 Giorgio Lovato , Michael Bonitz , Karsten Balzer , Fabio Caruso , Jan-Philip Joost

In the context of graphene-based composite applications, a complete understanding of charge conduction in multilayer reduced graphene oxides (rGO) is highly desirable. However, these rGO compounds are characterized by multiple and different…