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Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

Materials Science · Physics 2016-06-29 Xufei Wu , Vikas Varshney , Jonghoon Lee , Teng Zhang , Jennifer L. Wohlwend , Ajit K. Roy , Tengfei Luo

Atomically thin graphite, known as graphene, has been a marvel in material science because of its exceptional properties, novel physics and promising applications. Atomically thin diamond, called diamane, has also attracted considerable…

The spatial distributions of the valence-electron density and the total energy reliefs for water (or methanol) migration on the free surface of graphene are obtained, by using the electron density functional and ab initio pseudopotential…

Mesoscale and Nanoscale Physics · Physics 2015-11-30 A. G. Barylka , R. M. Balabai

The advent of graphene has renewed the interest in other 2D carbon-based materials. Bhattacharya and Jana have proposed a new carbon allotrope, composed of different polygonal carbon rings containing 4, 5, 6, and 10 atoms, named…

Materials Science · Physics 2023-05-24 Caique C. Oliveira , Matheus Medina , Douglas S. Galvao , Pedro A. S. Autreto

Graphene, a hexagonal sheet of $sp^2$-bonded carbon atoms, has extraordinary properties which hold immense promise for future nanoelectronic applications. Unfortunately, the popular preparation methods of micromechanical cleavage and…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Andrew Zangwill , Dimitri D. Vvedensky

Thousands of tons of isotopic mixtures are processed annually for heavy-water production and tritium decontamination. The existing technologies remain extremely energy intensive and require large capital investments. New approaches are…

Materials Science · Physics 2017-05-18 M. Lozada-Hidalgo , S. Zhang , S. Hu , A. Esfandiar , I. V. Grigorieva , A. K. Geim

Due to its high electrical conductivity and excellent transmittance at terahertz frequencies, graphene is a promising candidate as transparent electrodes for terahertz devices. We demonstrate a liquid crystal based terahertz phase shifter…

Nano-holes, etched under an electron beam at room temperature in singlelayer graphene sheets as a result of their interaction with metalimpurities, are shown to heal spontaneously by filling up with either non-hexagon, graphene-like, or…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Recep Zan , Quentin M. Ramasse , Ursel Bangert , Konstantin S. Novoselov

Graphene- the wonder material has attracted a great deal of attention from varied fields of condensed matter physics, materials science and chemistry in recent times. Its 2D atomic layer structure and unique electronic band structure makes…

Materials Science · Physics 2011-08-23 Deep Jariwala , Anchal Srivastava , Pulickel Ajayan

Graphene serves as an ideal platform to investigate the microscopic structure and reaction kinetics at the graphitic electrode interfaces. However, graphene is susceptible to various extrinsic factors, e.g. substrate, causing much confusion…

Chemical Physics · Physics 2022-07-19 Ying Xu , You-Bo Ma , Feng Gu , Shan-Shan Yang , Chuan-Shan Tian

Density functional calculations are employed to study the molecular dissociation of hydrogen on graphene, the diffusion of chemisorbed atomic species, and the electronic properties of the resulting hydrogen on graphene system. Our results…

Materials Science · Physics 2011-06-03 Hayley McKay , David J. Wales , S. J. Jenkins , J. A. Verges , P. L. de Andres

Application of graphene-type materials in electrocatalysis is a topic of growing scientific and technological interest. A tremendous amount of research has been carried out in the field of oxygen electroreduction, particularly with respect…

Materials Science · Physics 2018-05-23 Jerzy K. Zak , Enrico Negro , Iwona A. Rutkowska , Beata Dembinska , Vito Di Noto , Pawel J. Kulesza

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…

Graphene is a promising material for energy storage, especially for high performance supercapacitors. For real time high power applications, it is critical to have high specific capacitance with fast charging time at high current density.…

Graphene, a two-dimensional monolayer of sp2-bonded carbon atoms in a honeycomb lattice, possesses exceptional electronic, mechanical, and quantum properties, making it highly attractive for energy storage, spintronics, and…

Materials Science · Physics 2025-12-30 Chien-Hsu Chen , Huan Niu , Hung-Kai Yu , Tsung Te Lin , Yao-Tung Hsu

Establishing good electrical contacts to nanoscale devices is a major issue for modern technology and contacting 2D materials is no exception to the rule. One-dimensional edge-contacts to graphene were recently shown to outperform surface…

Graphene and related two-dimensional materials are promising candidates for atomically thin, flexible, and transparent optoelectronics. In particular, the strong light-matter interaction in graphene has allowed for the development of…

Graphane is graphene fully hydrogenated from both sides, forming a 1x1 structure, where all C atoms are in sp3 configuration. In silicene, the Si atoms are in a mix-sp2/sp3 configuration, it is therefore natural to imagine silicane in…

Materials Science · Physics 2015-07-16 Jinglan Qiu , Huixia Fu , Yang Xu , Qing Zhou , Sheng Meng , Hui Li , Lan Chen , Kehui Wu

Graphene oxide finds applications in different fields of science, including energy conversion. Electrochemical reduction of graphene oxide (GO) significantly improves its conductivity. However, the kinetics of this process depends on the…

We report the hydrogenation of single and bilayer graphene by an argon-hydrogen plasma produced in a reactive ion etching (RIE) system. Electronic transport measurements in combination with Raman spectroscopy are used to link the electric…

Materials Science · Physics 2013-03-05 M. Wojtaszek , N. Tombros , A. Caretta , P. H. M. van Loosdrecht , B. J. van Wees