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Related papers: A new 2D auxetic CN2 nanostructure with high energ…

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We explore the possibility and potential benefit of rolling a Si2BN sheet into single-walled nanotubes (NTs). Using density functional theory (DFT), we consider both structural stability and the impact on the nature of chemical bonding and…

Mesoscale and Nanoscale Physics · Physics 2022-03-16 Deobrat Singh , Vivekanand Shukla , Nabil Khossossi , Per Hyldgaard , Rajeev Ahuja

Many printed electronic applications require strain-independent electrical properties to ensure deformation-independent performance. Thus, developing printed, flexible devices using 2D and other nanomaterials will require an understanding…

Mesoscale and Nanoscale Physics · Physics 2024-10-29 Eoin Caffrey , Tian Carey , Luke Doolan , Anthony Dawson , Emmet Coleman , Zdenek Sofer , Oran Cassidy , Cian Gabbett , Jonathan N. Coleman

Organometallic nanostructures are promising candidates for applications in optoelectronics, magnetism and catalysis. Our bottom-up approach employs a cyano-functionalized terminal alkyne species (CN-DETP) on the Ag(110) surface to fabricate…

Two-dimensional (2D) materials are frequently associated with the sheets which form bulk layered compounds bonded by van der Waals (vdW) forces. The anisotropy and weak interaction between the sheets have also been the main criteria in the…

Materials Science · Physics 2022-01-24 Rico Friedrich , Mahdi Ghorbani-Asl , Stefano Curtarolo , Arkady V. Krasheninnikov

The search for topological semimetals is mainly focused on heavy-element compounds as following the footsteps of previous research on topological insulators, with less attention on light-element materials. However, the negligible spin orbit…

Materials Science · Physics 2019-01-24 Chengyong Zhong , Weikang Wu , Junjie He , Guangqian Ding , Yi Liu , Dengfeng Li , Shengyuan A. Yang , Gang Zhang

In nanoscale, motion operation of a nano-objective is usually realized by displacement load, which put forwards high requirement for ductility of material. Since pristine graphene has low ductility, once the stretching strain exceeds its…

Computational Physics · Physics 2020-09-01 Jiao Shi , Jia-Long Zhang , Xin Li , Bo Song

Nanostructuring materials at small scales enables control over their physical properties, revealing behaviors not observed at larger dimensions. This strategy is particularly effective in two-dimensional (2D) materials, where surface…

Recently, a new two-dimensional carbon allotrope called pentagraphene (PG) was proposed. PG exhibits mechanical and electronic interesting properties, including typical band gap values of semiconducting materials. PG has a Cairo-tiling-like…

Mesoscale and Nanoscale Physics · Physics 2017-03-13 J. M. de Sousa , A. L. Aguiar , E. C. Girao , Alexandre F. Fonseca , A. G. Souza Filho , Douglas S. Galvao

Carbon nanosheets are mechanically stable free-standing two-dimensional materials with a thickness of ~1 nm and well defined physical and chemical properties. They are made by radiation induced cross-linking of aromatic self-assembled…

Mesoscale and Nanoscale Physics · Physics 2011-05-31 Christoph T. Nottbohm , Andrey Turchanin , Andre Beyer , Rainer Stosch , Armin Golzhauser

Graphene is one of the most researched two dimensional (2D) material due to its unique combination of mechanical, thermal and electrical properties. Special 2D structure of graphene enables it to exhibit a wide range of peculiar material…

Computational Physics · Physics 2023-06-13 Akash Singh , Yumeng Li

Correlated charge inhomogeneity breaks the electron-hole symmetry in two-dimensional (2D) bilayer heterostructures which is responsible for non-zero drag appearing at the charge neutrality point. Here we report Coulomb drag in novel drag…

Mesoscale and Nanoscale Physics · Physics 2020-04-22 Richa Mitra , Manas Ranjan Sahu , Kenji Watanabe , Takashi Taniguchi , Hadas Shtrikman , A. K Sood , Anindya Das

Carbon nitride compounds have emerged recently as a prominent member of 2D materials beyond graphene. The experimental realizations of 2D graphitic carbon nitride g-C$_3$N$_4$, nitrogenated holey grahpene C$_2$N, polyaniline C$_3$N have…

Materials Science · Physics 2018-05-30 Haiyuan Chen , Shunhong Zhang , Wei Jiang , Chunxiao Zhang , Heng Guo , Zheng Liu , Zhiming Wang , Feng Liu , Xiaobin Niu

We propose intrinsic magnetism in nanosheets of SnO$_{2}$, based on first-principles calculations. The electronic structure and spin density reveal that $p$ orbitals of the oxygen atoms, surrounding Sn vacancies, have a non itinerant nature…

Materials Science · Physics 2013-02-22 Gul Rahman , Victor M. Garcia-Suarez , J. M. Morbec

The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C6N6) with embedded Mn atom (Mn-C6N6) is investigated under the influence of external environment using density functional theory. Our results show that…

The superior mechanical properties and low density of carbon nanostructures make them promising ballistic protection materials, stimulating investigations on their high-strain-rate behavior. Recent experiments and simulations revealed…

Mesoscale and Nanoscale Physics · Physics 2018-01-17 David L. Azevedo , Rafael A. Bizao , Douglas S. Galvao

Quadrupole phase, as a novel high-order topological phase, exhibits nontrivial gapless states at the boundaries whose dimension is lower than bulk by two. However, this phase has not been observed experimentally in two-dimensional (2D)…

Materials Science · Physics 2022-11-03 Z. H. Li , P. Zhou , Q. H. Yan , X. Y. Peng , Z. S. Ma , L. Z. Sun

Two-dimensional (2D) carbon materials have been intensively investigated because of their distinctive structural framework and electronic behaviors as alternatives in energy conversion and storage applications. This study proposes a novel…

The quest for efficient and scalable thermoelectric materials has catalyzed intense interest in quasi 1D nanoribbons, where reduced dimensionality and structural tunability can decouple key transport parameters to enhance energy conversion.…

Mesoscale and Nanoscale Physics · Physics 2025-07-18 Kalpana Panneerselvam , Swastik Sahoo , Bhaskaran Muralidharan

Hydrogen (H2) is a promising carbon-neutral energy carrier. However, its deployment is limited by the lack of lightweight, reversible storage media that operate under practical conditions. Here, we establish nitrogen-doped graphdiyne…

Materials Science · Physics 2026-05-15 Wael Othman , Ibrahim Alghoul , K-F. Aguey-Zinsou5 , Nacir Tit , Tanveer Hussain

The recent synthesis of nitrogen-doped monolayer amorphous carbon (MAC @N) opens new possibilities for multifunctional materials. In this study, we have investigated the nitrogen doping limits and their effects on MAC@N's structural and…