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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…

In this study, we employ a multi-scale computational modeling approach, combining density functional theory (DFT) and self-consistent charge density functional tight binding (SCC-DFTB), to investigate hydrogen (H2) production and…

Materials Science · Physics 2025-10-21 A. Aligayev , U. Jabbarli , U. Samadova , F. J. Dominguez-Gutierrez , S. Papanikolaou , Qing Huang

We present exemplary results of extensive studies of mechanical, electronic and transport properties of covalent functionalization of graphene monolayers (GML) with -NH2. We report new results of ab initio studies of covalent…

Materials Science · Physics 2014-01-24 Karolina Z. Milowska , Jacek A. Majewski

One of the enduring challenges in graphene research and applications is the extreme sensitivity of its charge carriers to external perturbations, especially those introduced by the substrate. The best available substrates to date, graphite…

Mesoscale and Nanoscale Physics · Physics 2015-04-29 Chih-Pin Lu , Guohong Li , K. Watanabe , T. Taniguchi , Eva Y. Andrei

We report on the superlubric sliding of monolayer tungsten disulfide (WS2) on epitaxial graphene (EG) on silicon carbide (SiC). WS2 single-crystalline flakes with lateral size of hundreds of nanometers are obtained via chemical vapor…

Hydrogen isotope separation has been effectively achieved using gaseous H2/D2 filtered through graphene/Nafion composite membranes. Nevertheless, deuteron nearly does not exist in the form of gaseous D2 in nature but in liquid water. Thus,…

Vertical heterostructures combining different layered materials offer novel opportunities for applications and fundamental studies of collective behavior driven by inter-layer Coulomb coupling. Here we report heterostructures comprising a…

Mesoscale and Nanoscale Physics · Physics 2015-01-09 A. Gamucci , D. Spirito , M. Carrega , B. Karmakar , A. Lombardo , M. Bruna , A. C. Ferrari , L. N. Pfeiffer , K. W. West , Marco Polini , V. Pellegrini

Two-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar cells, photocatalysis, lithium-ion batteries,…

Computational Physics · Physics 2018-06-13 Mostafa Hasanian , Bohayra Mortazavi , Alireza Ostadhossein , Timon Rabczuk , Adri C. T. van Duin

The celebrated electronic properties of graphene have opened way for materials just one-atom-thick to be used in the post-silicon electronic era. An important milestone was the creation of heterostructures based on graphene and other…

A two-dimensional layer of oxide reveals itself as a essential element to drive the photocatalytic activity in a nanostructured hybrid material, which combines high-quality epitaxial graphene and titanium dioxide nanoparticles. In…

Rhombohedrally stacked MoS2 has been shown to exhibit spontaneous polarization down to the bilayer limit and can sustain a strong depolarization field when sandwiched between graphene. Such a field gives rise to a spontaneous photovoltaic…

This article discusses the behavior of submonolayer quantum films (He and H2) on graphene and newly discovered surfaces that are derived from graphene. Among these substrates are graphane (abbreviated GH), which has an H atom bonded to each…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Luciano Reatto , Davide E. Galli , Marco Nava , Milton W. Cole

We report experimentally and theoretically the behavior of freestanding graphene subject to bombardment of energetic ions, investigating the ability of large-scale patterning of freestanding graphene with nanometer sized features by focused…

Mesoscale and Nanoscale Physics · Physics 2016-05-04 Jakob Buchheim , Roman M. Wyss , Ivan Shorubalko , Hyung Gyu Park

Hybrid heterostructures composed of graphene and perovskite oxides provide a promising platform for exploiting synergetic interfacial functionalities. Conventional fabrication methods of the hybrid heterostructures rely on transferring…

Graphene, a 2-dimensional monolayer form of sp2 hybridizated carbon atoms, is attracting increasing attention due to its unique and superior physicochemical properties. Covalently functionalized graphene layers, with their modifiable…

Materials Science · Physics 2014-08-11 Karolina Z. Milowska , Jacek A. Majewski

Ultralight mechanical resonators based on low-dimensional materials are well suited as exceptional transducers of minuscule forces or mass changes. However, the low dimensionality also provides a challenge to minimize resistive losses and…

Mesoscale and Nanoscale Physics · Physics 2018-09-18 M. Will , M. Hamer , M. Müller , A. Noury , P. Weber , A. Bachtold , R. V. Gorbachev , C. Stampfer , J. Güttinger

Producing monolayers and few-layers in high yield with environment-stability is still a challenge in hafnium disulphide (HfS2), which is a layered two-dimensional material of group-IV transition metal dichalcogenides, to reveal its unlocked…

A quasi-two-dimensional (Q2D) electron liquid (EL) is formed at the interface of a semiconductor heterojunction. For an accurate characterization of the Q2D EL, many-body effects need to be taken into account beyond the random phase…

Condensed Matter · Physics 2009-10-28 C. Bulutay , M. Tomak

Among the recent achievements of sodium-ion battery (SIB) electrode materials, hybridization of two-dimentional (2D) materials is one of the most interesting appointments. In this work, we propose to use the 2D hybrid composites of SnS2…

Materials Science · Physics 2018-10-19 Kum-Chol Ri , Chol-Jun Yu , Jin-Song Kim , Song-Hyok Choe

While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…

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