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Metallenes are atomically thin two-dimensional (2D) materials lacking a layered structure in the bulk form. They can be stabilized by nanoscale constrictions like pores in 2D covalent templates, but the isotropic metallic bonding makes…

Materials Science · Physics 2024-11-11 Kameyab Raza Abidi , Pekka Koskinen

Common two-dimensional (2D) materials have a layered 3D structure with covalently bonded, atomically thin layers held together by weak van der Waals forces. However, in a recent transmission electron microscopy experiment, atomically thin…

Mesoscale and Nanoscale Physics · Physics 2018-02-07 Janne Nevalaita , Pekka Koskinen

Recent experimental discoveries of graphene-stabilized patches of two-dimensional (2D) metals have motivated also their computational studies. However, so far the studies have been restricted to ideal and infinite 2D metallic monolayers,…

Mesoscale and Nanoscale Physics · Physics 2018-09-26 Janne Nevalaita , Pekka Koskinen

The discovery of graphene some ten years ago was the first proof of a free-standing two-dimensional (2D) solid phase. Here, using quantum molecular dynamics simulations of nanoscale gold patches suspended in graphene pores, we predict the…

Mesoscale and Nanoscale Physics · Physics 2015-08-26 Pekka Koskinen , Topi Korhonen

Metallenes are atomically thin, nonlayered two-dimensional materials. While they have appealing properties, their isotropic metallic bonding makes their stabilization difficult and presents considerable challenges to their synthesis and…

Materials Science · Physics 2026-01-09 Mohammad Bagheri , Pekka Koskinen

The discovery of graphene and other two-dimensional (2-D) materials has stimulated a general interest in low-dimensional (low-D) materials. Whereas long time ago, Peierls and Landau's theoretical work demonstrated that any one- and…

Materials Science · Physics 2017-10-11 Jiapeng Chen , Biao Wang , Yangfan Hu

We perform extensive density functional theory (DFT) calculations to determine the stability and elementary properties of 4249 previously unexplored monolayer crystals. The monolayers comprise the most stable subset (energy within 0.1…

Materials Science · Physics 2024-06-18 Peder Lyngby , Kristian Sommer Thygesen

Heterostructures composed of two-dimensional (2D) materials are already opening many new possibilities in such fields of technology as electronics and magnonics, but far more could be achieved if the number and diversity of 2D materials is…

The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization…

Materials Science · Physics 2022-02-10 Shota Ono

The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…

Materials Science · Physics 2020-11-04 Yuanxi Wang , Vincent H. Crespi

Two-dimensional metals offer intriguing possibilities to explore metallicity and other related properties in systems with reduced dimensionality. Here, following recent experimental reports of synthesis of two-dimensional metallic gallium…

Materials Science · Physics 2021-07-12 Alex Kutana , Qiyuan Ruan , Jun-Jie Zhang , Evgeni S. Penev , Boris I. Yakobson

Ultrathin metal films exhibit liquid-like instabilities, rupturing via surface diffusion far below their melting points. This behavior constrains thermal budgets for advanced integrated circuits and emerging 2D-crystal devices. Here, we…

Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…

Materials Science · Physics 2017-04-05 Obaidur Rahaman , Bohayra Mortazavi , Arezoo Dianat , Gianaurelio Cuniberti , Timon Rabczuk

Two dimensional (2D) layered materials have recently gained renewed interest due to their exotic electronic properties along with high specific surface area. The prospects of exploiting these properties in sensing, catalysis, energy…

Materials Science · Physics 2015-05-20 Sumit Saxena , Raghvendra Pratap Choudhary , Shobha Shukla

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

Materials Science · Physics 2020-12-18 Yuqi Song , Edirisuriya M. Dilanga Siriwardane , Yong Zhao , Jianjun Hu

Graphdiyne and graphyne are carbon-based two-dimensional (2D) porous atomic lattices, with outstanding physics and excellent application prospects for advanced technologies, like nanoelectronics and energy storage systems. During the last…

Computational Physics · Physics 2019-02-07 B. Mortazavi , M. Shahrokhi , M. E. Madjet , T. Hussain , X. Zhuang , T. Rabczuk

Inspired by recent studies of various two-dimensional (2D) metals such as Au, Fe and Ag, we study the growth of two-dimensional gold patches in graphene pores by density-functional theory. We find that at room temperature gold atoms diffuse…

Mesoscale and Nanoscale Physics · Physics 2017-02-21 Saku Antikainen , Pekka Koskinen

The study of graphene, since its discovery around 2004, is possibly the largest and fastest growing field of research in material science, because of its exotic mechanical, thermal, electronic, optical and chemical properties. The studies…

Materials Science · Physics 2013-06-05 Gautam Mukhopadhyay , Harihar Behera

We lay down a nonlinear elastic constitutive framework for the modeling of some 2D crystals of current interest. The 2D crystals we treat are graphene, hexagonal boron nitride and some metal dichalcogenides: molybdenium disulfide (MoS$_2$),…

Materials Science · Physics 2018-01-17 D. Sfyris , G. I. Sfyris , C. Galiotis

A framework is developed to allow emulsification to be used to fabricate functional structures from, and study the properties of, pristine layered nanosheets. Liquid-exfoliated few-layer graphene and MoS2 are demonstrated to stablize…

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