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The most recent experimental advances could provide ways for the fabrication of several atomic thick and planar forms of boron atoms. For the first time, we explore the mechanical properties of five types of boron films with various vacancy…

Materials Science · Physics 2017-04-17 Minh-Quy Le , Bohayra Mortazavi , Timon Rabczuk

Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional theory calculations to investigate the interaction of Ca, Mg,…

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

We study the mechanical properties of two-dimensional (2D) boron, borophenes, by first-principles calculations. The recently synthesized borophene with 1/6 concentration of hollow hexagons (HH) is shown to have in-plane modulus C up to 210…

Materials Science · Physics 2017-01-12 Zhuhua Zhang , Yang Yang , Evgeni S. Penev , Boris I. Yakobson

Very recently, two-dimensional(2D) boron sheets (borophene) with rectangular structure has been grown successfully on single crystal Ag(111) substrates.The fabricated boroprene is predicted to have unusual mechanical properties. We…

Mesoscale and Nanoscale Physics · Physics 2016-08-10 Haifeng Wang , Qingfang Li , Yan Gao , F. Miao , Xiang-Feng Zhou , X. G. Wan

Borophene (two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of…

Mesoscale and Nanoscale Physics · Physics 2016-06-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuanfeng Xu , Rongjun Zhang , Heyuan Zhu

Most recent exciting experimental advances introduced buckled and flat borophene nanomembranes as new members to the advancing family of two-dimensional (2D) materials. Borophene, is the boron atom analogue of graphene with interesting…

Computational Physics · Physics 2017-05-10 Bohayra Mortazavi , Obaidur Rahaman , Said Ahzi , Timon Rabczuk

Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we…

A new two-dimensional (2D) material, borophene (2D boron sheet), has been grown successfully recently on single crystal Ag substrates by two parallel experiments [Mannix \textit{et al., Science}, 2015, \textbf{350}, 1513] [Feng \textit{et…

Materials Science · Physics 2017-03-22 Bo Peng , Hao Zhang , Hezhu Shao , Zeyu Ning , Yuanfeng Xu , Hongliang Lu , David Wei Zhang , Heyuan Zhu

In recent years, two-dimensional boron sheets (borophene) have been experimentally synthesized and theoretically observed as promising conductor or transistor with novel thermal and electronic properties. We first give a general survey of…

Materials Science · Physics 2018-03-16 Dengfeng Li , Ying Chen , Jia He , Qiqi Tang , Chengyong Zhong , Guangqian Ding

We have studied the mechanical properties and phonon dispersions of fully hydrogenated borophene (borophane) under strains by first principles calculations. Uniaxial tensile strains along the a- and b-direction, respectively, and biaxial…

Materials Science · Physics 2016-11-28 Zhiqiang Wang , Tie-Yu Lü , Hui-Qiong Wang , Yuan-Ping Feng , Jin-Cheng Zheng

The recent discovery of borophene, a two-dimensional allotrope of boron, raises many questions about its structure and its chemical and physical properties. Boron has a high chemical affinity to oxygen but little is known about the…

Materials Science · Physics 2020-02-28 Florian M. Arnold , Gotthard Seifert , Jens Kunstmann

Recent synthesis of monolayer borophene (triangle boron monolayer) on the substrate opens the era of boron nanosheet (Science, 350, 1513, $\mathbf{2015}$), but the structural stability and novel physical properties are still open issues.…

Materials Science · Physics 2016-02-12 Lichun Xu , Aijun Du , Liangzhi Kou

Two-dimensional boron monolayer (borophene) stands out from the two-dimensional atomic layered materials due to its structural flexibility, tunable electronic and mechanical properties from a large number of allotropic materials. The…

Materials Science · Physics 2022-05-31 Yuchong Kang , Xiaoyun Ma , Jing Fu , Kun Yang , Zongguo Wang , Haibo Li , Wei Ma , Jin Zhang

Borophene, an atomically thin, corrugated, crystalline two-dimensional boron sheet, has been recently synthesized. We investigate mechanical properties and lattice thermal conductivity of borophene via reactive molecular dynamics…

Materials Science · Physics 2017-07-05 Bohayra Mortazavi , Minh-Quy Le , Timon Rabczuk , Luiz Felipe C. Pereira

Motivated by recent experimental and theoretical research on a monolayer of Boron atoms, Borophene, current-voltage characteristics of three different Borophene sheets, 2Pmmn, 8Pmmn and 8Pmmm, are calculated using density functional theory…

Chemical Physics · Physics 2017-10-11 Sahar Izadi Vishkayi , Meysam Bagheri Tagani

Two-dimensional boron sheets (borophenes) have been successfully synthesized in experiments and are expected to exhibit intriguing transport properties such as the emergence of superconductivity and Dirac Fermions. However, quantitative…

Computational Physics · Physics 2020-07-28 Jin Zhang , Jia Zhang , Cai Cheng , Jian Liu , Johannes Lischner , Feliciano Giustino , Sheng Meng

The tribological performance of 2D materials makes them good candidates toward a reduction of friction at the macroscale. Superlubricity has been observed for graphene, MoS\textsubscript{2} and MXenes and hexagonal boron nitride (hBN) is…

By way of the nonequilibrium Green's function simulations and first principles calculations, we report that borophene, a single layer of boron atoms that was fabricated recently, possesses an extraordinarily high lattice thermal conductance…

Materials Science · Physics 2017-05-31 Hangbo Zhou , Yongqing Cai , Gang Zhang , Yong-Wei Zhang

Two dimensional materials are attracting new research for optoelectronics and spintronics due to their unique physical properties. A wide range of emerging spintronic devices are achieved from parent and doped two dimensional materials.…

Materials Science · Physics 2023-09-15 S. Koley

All-carbon heterostructures have been produced recently via focused ion beam patterning of single layer graphene. Amorphized graphene is similar to a graphene sheet in which some hexagons are replaced by a combination of pentagonal,…

Materials Science · Physics 2017-04-07 B Mortazavi , Z Fan , LFC Pereira , A Harju , T Rabczuk
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