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The design and fabrication of robust metallic states in graphene nanoribbons (GNRs) is a significant challenge since lateral quantum confinement and many-electron interactions tend to induce electronic band gaps when graphene is patterned…

Bottom-up synthesized graphene nanoribbons (GNRs) are quantum materials that can be structured with atomic precision, providing unprecedented control over their physical properties. Accessing the intrinsic functionality of GNRs for quantum…

We propose a new class of semiconducting graphene-based nanostructures: hydrogenated graphene nanoripples (HGNRs), based on continuum-mechanics analysis and first principles calculations. They are formed via a two-step combinatorial…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Z. F. Wang , Yu Zhang , Feng Liu

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is powerful tool for tuning their crystal structure and electronic structure away from their…

Materials Science · Physics 2016-07-11 Zhao Zhao , Hua Wei , Wendy L. Mao

The nitrogen-vacancy (NV) center in diamond has been extensively studied in recent years for its remarkable quantum coherence properties that make it an ideal candidate for room temperature quantum computing and quantum sensing schemes.…

High-harmonic generation (HHG) in condensed-matter systems is both a source of fundamental insight into quantum electron motion and a promising candidate to realize compact ultraviolet and ultrafast light sources. Here we argue that the…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 Joel D. Cox , Andrea Marini , F. Javier García de Abajo

This review concentrates on the specific properties and characteristics of damage structures generated with high-energy ions in the electronic energy loss regime. Irradiation experiments with so-called swift heavy ions (SHI) find…

Materials Science · Physics 2020-07-20 Maik Lang , Flyura Djurabekova , Nikita Medvedev , Marcel Toulemonde , Christina Trautmann

Through millennia humans exploited the natural property of metals to get stronger or hardened when mechanically deformed. Ultimately rooted in the motion of dislocations, mechanisms of metal hardening remained in the crosshairs of physical…

Artificial neural network potentials (NNPs) have emerged as effective tools for understanding atomic interactions at the atomic scale in various phenomena. Recently, we developed highly transferable NNPs for {\alpha}-iron and…

Materials Science · Physics 2023-12-01 Shihao Zhang , Fanshun Meng , Rong Fu , Shigenobu Ogata

The shape of metal nanoparticles embedded in dielectric matrices influences the optical properties of the composite material. Swift heavy ion irradiation can induce a controllable shape transformation in gold and other metals embedded in…

Materials Science · Physics 2022-04-22 Aleksi A. Leino , Ville E. Jantunen , Flyura Djurabekova

Transition metal nitrides have been suggested to have both high hardness and good thermal stability with large potential application value, but so far stable superhard transition metal nitrides have not been synthesized. Here, with our…

Materials Science · Physics 2018-11-30 Kang Xia , Hao Gao , Cong Liu , Jian Sun , Hui-Tian Wang , Dingyu Xing

The activity and stability of a platinum nanoparticle (NP) is not only affected by its size but additionally depends on its shape. To this end, simulations can identify structure-property relationships to make a priori decisions on the most…

Chemical Physics · Physics 2022-03-25 Björn Kirchhoff , Christoph Jung , Hannes Jónsson , Donato Fantauzzi , Timo Jacob

The structure and motion of carbon and h-BN nanotubes (NTs) deposited on graphene is inquired theoretically by simulations based on state-of-the-art interatomic force fields. Results show that any typical cylinder-over-surface approximation…

Mesoscale and Nanoscale Physics · Physics 2020-06-17 Davide Mandelli , Roberto Guerra

Combined gold and silicon nano-system has spurred tremendous interest in the scientific community due to its application in different metal-semiconductor electronic devices and solar driven water splitting cells. Silicon, fabricated on gold…

Materials Science · Physics 2024-06-19 Shahriar Nahian , Shahriar Muhammad Nahid , Mohammad Motalab , Pritom Bose

New carbon forms exhibiting extraordinary physico-chemical properties can be generated from nanostructured precursors under extreme pressure. Nevertheless, synthesis of such fascinating materials is often not well understood that results,…

Mechanical cantilevers are central to nanotechnology, with ultimate sensitivity achieved at the atomic limit, where low bending rigidity makes stability the fundamental challenge. Here, we introduce a wrinkle-induced stiffening approach…

Mesoscale and Nanoscale Physics · Physics 2025-08-25 Hadi Arjmandi-Tash , Roshan Prasad , Hanqing Liu , Gerard Verbiest , Dominic Vella , Farbod Alijani

Graphene, a thinnest material in the world, can form moire structures on different substrates, including graphite, h-BN, or metal surfaces. In such systems the structure of graphene, i. e. its corrugation, as well as its electronic and…

Mesoscale and Nanoscale Physics · Physics 2016-07-12 Elena Voloshina , Yuriy Dedkov

Understanding material behavior under high velocity impact is the key to addressing a variety of fundamental questions in areas ranging from asteroid strikes and geological cratering to impact-induced phase transformations, spallation,…

Materials Science · Physics 2016-12-26 Mostafa Hassani-Gangaraj , David Veysset , Keith A. Nelson , Christopher A. Schuh

Nearly two-dimensional diamond, or diamane, is coveted as ultrathin $sp^3$-carbon film with unique mechanics and electro-optics. The very thinness ($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to shift the bulk…

Materials Science · Physics 2020-10-27 Sergey V. Erohin , Qiyuan Ruan , Pavel B. Sorokin , Boris I. Yakobson

In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…