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The effect of external static charging on borophenes - 2D boron crystals - is investigated by using first principles calculations. The influence of the excess negative charge on the stability of the 2D structures is examined using a very…

Materials Science · Physics 2021-09-21 T. Tarkowski , J. A. Majewski , N. Gonzalez Szwacki

We report a successful preparation of a purely honeycomb, graphene-like borophene, by using an Al(111) surface as the substrate and molecular beam epitaxy (MBE) growth in ultrahigh vacuum. Our scanning tunneling microscopy (STM) reveals…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 Wenbin Li , Longjuan Kong , Caiyun Chen , Jian Gou , Shaoxiang Sheng , Weifeng Zhang , Hui Li , Lan Chen , Peng Cheng , Kehui Wu

Charge transfer from a metal substrate stabilizes honeycomb borophene, whose electron deficit would otherwise spoil the hexagonal order of a $\pi$-bonded 2D atomic network. However, the coupling between the substrate and the boron overlayer…

Materials Science · Physics 2022-11-30 Mandana Safari , Erik Vesselli , Stefano de Gironcoli , Stefano Baroni

Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…

Mesoscale and Nanoscale Physics · Physics 2019-12-04 Yangjin Lee , Sol Lee , Jun-Yoeong Yoon , Jinwoo Cheon , Hu Young Jeong , Kwanpyo Kim

The past decade has witnessed numerous discoveries of two-dimensional (2D) semimetals and insulators, whereas 2D metals are rarely identified. Borophene, a monolayer boron sheet, has recently emerged as a perfect 2D metal with unique…

Materials Science · Physics 2020-09-21 Chao Lian , Shi-Qi Hu , Jin Zhang , Cai Cheng , Zhe Yuan , Shiwu Gao , Sheng Meng

Nanoribbons produced from cutting {\beta}_12-Borophene sheet is investigated by density functional theory. The electronic and magnetic properties of Borophene nanoribbons are studied and found that all considered ribbons are metal which is…

Mesoscale and Nanoscale Physics · Physics 2017-08-11 Sahar Izadi Vishkayi , Meysam Bagheri Tagani

Graphene foams have recently attracted a great deal of interest for their possible use in technological applications, such as electrochemical storage devices, wearable electronics, and chemical sensing. In this work, we present…

Materials Science · Physics 2018-03-28 Andrea Pedrielli , Simone Taioli , Giovanni Garberoglio , Nicola Pugno

Engineering atomic-scale structures allows great manipulation of physical properties and chemical processes for advanced technology. We show that the B atoms deployed at the centers of honeycombs in boron sheets, borophene, behave as nearly…

Recent experimental realizations of bilayer boron materials motivated us to study the structure and properties of $\alpha$-sheet-based bilayer borophenes with interlayer covalent bonds. As shown here, at least three stacking variations are…

Materials Science · Physics 2024-06-18 Subrata Rakshit , Nevill Gonzalez Szwacki

We theoretically study the influence of impurity scattering on the electric and thermal transport of borophane layer, a two-dimensional anisotropic Dirac semi-metal with two tilted and anisotropic Dirac cones. In a systematic framework, we…

Mesoscale and Nanoscale Physics · Physics 2019-06-19 Moslem Zare

Atomically thin boron nitride (BN) nanosheets are important two-dimensional nanomaterials with many unique properties distinct from those of graphene, but the investigation of their mechanical properties still greatly lacks. Here we report…

A major challenge in the investigation of all 2D materials is the development of synthesis protocols and tools which would enable their large-scale production and effective manipulation. The same holds for borophene, where experiments are…

Two-dimensional systems have strengthened their position as one of the key materials for novel applications. Very recently, boron joined the distinguished group of elements that are confirmed to possess 2D allotropes, named borophenes. In…

Materials Science · Physics 2021-09-21 N. Gonzalez Szwacki

Two-dimensional metals, such as graphene, have undergone extensive exploration, with graphene exhibiting a metallic response limited to the infrared spectral range. Overcoming the challenge of extending the electron mobility in…

Mesoscale and Nanoscale Physics · Physics 2025-02-04 Yaser Abdi , Masoud Taleb , Soheil Hajibaba , Mohsen Moayedi , Nahid Talebi

The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe approach. We investigate the thermal conductivity of the armchair…

Computational Physics · Physics 2020-06-30 Yue Jia , Chun Li , Jin-Wu Jiang , Ning Wei , Yang Chen , Yongjie Jessica Zhang

Well-known effect of mechanical stiffness degradation under the influence of point defects in macroscopic solids can be controversially reversed in the case of low-dimensional materials. Using atomistic simulation, we showed here that a…

Mesoscale and Nanoscale Physics · Physics 2015-08-18 Dmitry G. Kvashnin , Pavel B. Sorokin

We performed a theoretical investigation of the structural and electronic properties of (i) pristine, and (ii) superlattice structures of borophene. In (i), by combining first-principles calculations, based on the density functional theory…

Materials Science · Physics 2019-11-27 G. H. Silvestre , R. H. Miwa , Wanderlã L. Scopel

First-principles calculations on monolayer 8-{\it Pmmn} borophene are reported to reveal unprecedented electronic properties in a two-dimensional material. Based on a Born effective charge analysis, 8-{\it Pmmn} borophene is the first…

Materials Science · Physics 2016-08-18 Alejandro Lopez-Bezanilla , Peter B. Littlewood

Graphene and some graphene like two dimensional materials; hexagonal boron nitride (hBN) and silicene have unique mechanical properties which severely limit the suitability of conventional theories used for common brittle and ductile…

Materials Science · Physics 2017-04-11 Tawfiqur Rakib , Satyajit Mojumder , Sourav Das , Sourav Saha , Mohammad Motalab

Two dimensional allotropes of group IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These materials involving the buckled structure have been…

Materials Science · Physics 2017-04-17 B Mortazavi , O Rahaman , M Makaremi , A Dianat , G Cuniberti , T Rabczuk