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We investigate doping of a single-layer graphene in the presence of electrolytic top gating. The interfacial phenomena is modeled using a modified Poisson-Boltzmann equation for an aqueous solution of simple salt. We demonstrate both the…

Mesoscale and Nanoscale Physics · Physics 2010-06-10 Z. L. Miskovic , N. Upadhyaya

The present manuscript summarizes the modern view on the problem of the graphene-metal interaction. Presently, the close-packed surfaces of d metals are used as templates for the preparation of highly-ordered graphene layers. Different…

Materials Science · Physics 2017-08-23 E. N. Voloshina , Yu. S. Dedkov

The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidized monovacancies are considered for different oxygen…

Mesoscale and Nanoscale Physics · Physics 2013-11-12 N. Singh , T. P. Kaloni , Udo Schwingenschlögl

The sensitivity of graphene to the surrounding environment is given by its {\pi} electrons, which are directly exposed to molecules in the ambient. The high sensitivity of graphene to the local environment has shown to be both advantageous…

Materials Science · Physics 2018-04-27 Christos Melios , Cristina E. Giusca , Vishal Panchal , Olga Kazakova

Graphene is the extreme material for molecular sensory and hydrogen storage applications because of its two-dimensional geometry and unique structure-property relationship. In this Letter, hydrogenation of graphene is discussed in the…

Materials Science · Physics 2010-02-10 Zhiping Xu , Kun Xue

With the global transition towards cleaner energy and sustainable processes, the demand for efficient catalysts, especially for the oxygen reduction reaction, has gained attention from the scientific community. This research work…

Materials Science · Physics 2025-05-12 Lanna E. B. Lucchetti , Pedro A. S. Autreto , Mauro C. Santos , James M. de Almeida

Some of the materials are more affected by oxidation than others. To elucidate the oxidation-induced degradation mechanisms in transition metal chalcogenides, the chemical effects in single layer MoS$_2$ and MoTe$_2$ were studied in situ in…

Because of the dominant role of the surface of molecules and their individuality, molecules behave dis-tinctively in a confined space, which has far-reaching implications in many physical, chemical and bio-logical systems. Here, we…

Mesoscale and Nanoscale Physics · Physics 2014-04-29 DaeEung Lee , Gwanghyun Ahn , Sunmin Ryu

We report that gold thermally deposited onto n-layer graphenes interacts differently with these substrates depending on the number layer, indicating the different surface properties of graphenes. This results in thickness-dependent…

Chemical Physics · Physics 2011-03-24 Haiqing Zhou , Caiyu Qiu , Zheng Liu , Huaichao Yang , Lijun Hu , Ji Liu , Haifang Yang , Changzhi Gu , Lianfeng Sun

Basing on the molecular theory of graphene, the influence of the chemical modification of edge atoms of a graphene sheet is studied in terms of mechanochemical reactions. The mechanical behavior of graphene is shown to be not only highly…

Materials Science · Physics 2013-01-08 Vera Popova , Nadezhda Popova , Elena Sheka

Due to its ultra-thin nature, the study of graphene quantum optoelectronics, like gate-dependent graphene Raman properties, is obscured by interactions with substrates and surroundings. For instance, the use of doped silicon with a capping…

In this work we present a fully atomistic reactive (ReaxFF force field) molecular dynamics study of the structural and dynamical aspects of the one-side hydrogenation of graphene membranes, leading to the formation of the so-called graphone…

Mesoscale and Nanoscale Physics · Physics 2016-06-30 Cristiano Francisco Woellner , Pedro Alves da Silva Autreto , Douglas S. Galvao

The successful application of titanium oxide-graphene hybrids in the fields of photocatalysis, photovoltaics and photodetection strongly depends on the interfacial contact between both materials. The need to provide a good coupling between…

Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical, electrical and optical properties. For the first time graphene layers suspended on copper meshes were installed into a gas detector…

The dynamic covalent properties of graphene oxide (GO) are of fundamental interest to a broad range of scientific areas and technological applications. It remains a challenge to access the feasible dynamic reactions for reversibly…

Materials Science · Physics 2022-08-24 Zihan Yan , Wenjie Yang , Hao Yang , Chengao Ji , Shuming Zeng , Xiuyun Zhang , Liang Zhao , Yusong Tu

Graphene-oxide hybrid structures offer the opportunity to combine the versatile functionalities of oxides with the excellent electronic transport in graphene. Understanding and controlling how the dielectric environment affects the…

Mesoscale and Nanoscale Physics · Physics 2012-07-26 X. Hong , K. Zou , A. M. DaSilva , C. H. Ahn , J. Zhu

Graphene, the first truly two-dimensional (one atom thin) material, possesses strongly nonlinear electrodynamic and optical properties. At low (microwave, terahertz) frequencies this results from the unique electronic property of graphene -…

Mesoscale and Nanoscale Physics · Physics 2018-10-02 Sergey Mikhailov

Molecular-crystalline duality of graphene ensures a tight alliance of its physical and chemical natures, each of which is unique in its own way. The paper examines the physical-chemical harmony and/or confrontation in terms of the molecular…

Mesoscale and Nanoscale Physics · Physics 2013-12-05 Elena F. Sheka

Optical properties of graphene are explored by using the generalized tight-binding model. The main features of spectral structures, the form, frequency, number and intensity, are greatly enriched by the complex relationship among the…

Computational Physics · Physics 2016-07-20 Chiun-Yan Lin , Thi-Nga Do , Yao-Kung Huang , Ming-Fa Lin

Isolated, atomically thin conducting membranes of graphite, called graphene, have recently been the subject of intense research with the hope that practical applications in fields ranging from electronics to energy science will emerge.…

Mesoscale and Nanoscale Physics · Physics 2010-09-17 S. Garaj , W. Hubbard , A. Reina , J. Kong , D. Branton , J. A. Golovchenko