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Graphene functionalization by hydrogen and fluorine has been proposed as a route to modulate its reactivity and electronic properties. However, until now, proposed systems present degradation and limited hydrogen adsorption capacity. In…

Graphene is of interest in the development of next-generation electronics due to its high electron mobility, flexibility and stability. However, graphene transistors have poor on/off current ratios because of the absence of a bandgap. One…

材料科学 · 物理学 2021-05-03 Shaorui Li , Jiaheng Li , Yongchao Wang , Chenglin Yu , Yaoxin Li , Wenhui Duan , Yayu Wang , Jinsong Zhang

Chemical functionalization has proven to be a promising means of tailoring the unique properties of graphene. For example, hydrogenation can yield a variety of interesting effects, including a metal-insulator transition or the formation of…

介观与纳米尺度物理 · 物理学 2025-06-06 Jose E. Barrios Vargas , Jesper T. Falkenberg , David Soriano , Aron W. Cummings , Mads Brandbyge , Stephan Roche

The electrochemical hydrogenation of graphene induces a robust and reversible conductor-insulator transition, of strong interest in logic-and-memory applications. However, its mechanism remains unknown. Here we show that it proceeds as a…

By using first-principles calculations, the electronic structure of planar and strained in-plane graphene/silicene heterostructure is studied. The heterostructure is found to be metallic in a strain range from -7% (compression) to +7%…

材料科学 · 物理学 2017-01-30 Andrey A Kistanov , Yongqing Cai , Yong-Wei Zhang , Sergey V Dmitriev , Kun Zhou

Spatially nonuniform strain is important for engineering the pseudomagnetic field and band structure of graphene. Despite the wide interest in strain engineering, there is still a lack of control on device-compatible strain patterns due to…

Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness.…

介观与纳米尺度物理 · 物理学 2016-08-17 N. -C. Yeh , C. -C. Hsu , M. L. Teague , J. -Q. Wang , D. A. Boyd , C. -C. Chen

Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…

材料科学 · 物理学 2013-05-22 Ivan I. Naumov , R. E. Cohen , Russell J. Hemley

This review presents the state of the art in strain and ripple-induced effects on the electronic and optical properties of graphene. It starts by providing the crystallographic description of mechanical deformations, as well as the…

介观与纳米尺度物理 · 物理学 2017-08-22 Gerardo G. Naumis , Salvador Barraza-Lopez , Maurice Oliva-Leyva , Humberto Terrones

The heating of electrons in graphene by laser irradiation, and its effects on the lattice structure, are studied. Values for the temperature of the electron system in realistic situations are obtained. For sufficiently high electron…

介观与纳米尺度物理 · 物理学 2023-09-20 Jose Angel Silva-Guillén , Francisco Guinea

The ability of atomic hydrogen to chemisorb on graphene makes the latter a promising material for hydrogen storage. Based on scanning tunneling microscopy techniques, we report on site-selective adsorption of atomic hydrogen on convexly…

The paper presents evidence of a rather strong correlation of odd electrons in the singlet state of graphene. Due to the correlation, the chemical modification of graphene can be considered following a certain algorithmic computational…

材料科学 · 物理学 2012-01-10 E. F. Sheka , N. A. Popova

The observation of novel physical phenomena such as Hofstadter's butterfly, topological currents and unconventional superconductivity in graphene have been enabled by the replacement of SiO$_2$ with hexagonal Boron Nitride (hBN) as a…

介观与纳米尺度物理 · 物理学 2019-01-18 Adolfo De Sanctis , Jake D. Mehew , Saad Alkhalifa , Freddie Withers , Monica F. Craciun , Saverio Russo

Electronic transport properties of monolayer graphene with extreme physical bending up to 90o angle are studied using ab Initio first-principle calculations. The importance of key structural parameters including step height, curvature…

量子物理 · 物理学 2011-01-31 Haiyuan Gao , Yang Xu , Meijiao Li , Zhendong Guo , Hongshen Chen , Zhonghe Jin , Bin Yu

One of the enticing features common to most of the two-dimensional electronic systems that are currently at the forefront of materials science research is the ability to easily introduce a combination of planar deformations and bending in…

介观与纳米尺度物理 · 物理学 2014-09-29 Gareth Wyn Jones , Vitor M. Pereira

Graphene is known as the strongest 2D material in nature, yet we show that moderate charge doping of either electrons or holes can further enhance its ideal strength by up to ~17%, based on first principles calculations. This unusual…

材料科学 · 物理学 2015-06-11 Chen Si , Wenhui Duan , Zheng Liu , Feng Liu

Graphene is the nature's thinnest elastic membrane, with exceptional mechanical and electrical properties. We report the direct observation and creation of one-dimensional (1D) and 2D periodic ripples in suspended graphene sheets, using…

介观与纳米尺度物理 · 物理学 2009-07-28 Wenzhong Bao , Feng Miao , Zhen Chen , Hang Zhang , Wanyoung Jang , Chris Dames , Chun Ning Lau

Enhancement of the chemical activity of graphene is evidenced by first-principles modelling of chemisorption of the hydrogen, fluorine, oxygen and hydroxyl groups on strained graphene. For the case of negative strain or compression,…

材料科学 · 物理学 2012-05-04 Danil W. Boukhvalov , Young-Woo Son

The chapter generalizes results on influence of uniaxial strain and adsorption on the electron states and charge transport or localization in graphene with different configurations of imperfections (point defects): resonant (neutral)…

Graphene's exceptional mechanical properties, including its highest-known stiffness (1 TPa) and strength (100 GPa) have been exploited for various structural applications. However, graphene is also known to be quite brittle, with…

计算物理 · 物理学 2015-01-08 Zenan Qi , Harold S. Park , David K. Campbell