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Today the study of two-dimensional (2D) materials has become one of the key objectives of materials science. Unlike their three-dimensional counterparts, 2D materials can simultaneously demonstrate unique transport and mechanical properties…

Materials Science · Physics 2021-03-16 Arslan B. Mazitov , Artem R. Oganov

Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite…

The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, optoelectronics, catalysis, and energy storage. However,…

Materials Science · Physics 2025-07-02 Zhongwei Liu , Zhimin Zhang , Xuwei Liu , Mingjia Yao , Xin He , Yuanhui Sun , Xin Chen , Lijun Zhang

2D materials find promising applications in next-generation devices, however, large-scale, low-defect, and reproducible synthesis of 2D materials remains a challenging task. To assist in the selection of suitable substrates for the…

Materials Science · Physics 2021-12-08 Tara M. Boland , Arunima K. Singh

Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic discovery of functional 2D materials has been the focus of…

We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…

Materials Science · Physics 2020-05-15 K. Zberecki

Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show…

Computational Physics · Physics 2021-12-20 Lei Shen , Jun Zhou , Tong Yang , Ming Yang , Yuan Ping Feng

Artificial intelligence (AI) and machine learning (ML) models in materials science are predominantly trained on ideal bulk crystals, limiting their transferability to real-world applications where surfaces, interfaces, and defects dominate.…

Materials Science · Physics 2026-03-31 Vsevolod Biryukov , Kamal Choudhary , Timur Bazhirov

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

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

Two-dimensional (2D) materials are among the most promising candidates for beyond-silicon electronic, optoelectronic and quantum computing applications. Recently, their recognized importance sparked a push to discover and characterize novel…

Materials Science · Physics 2022-10-21 Davide Campi , Nicolas Mounet , Marco Gibertini , Giovanni Pizzi , Nicola Marzari

The past decade has seen rapid growth in the number of experimentally realized two-dimensional (2D) materials with diverse chemical and physical properties. However, information on their crystal structure, synthesis routes, and measured or…

Understanding structure at the interface between two-dimensional (2D) materials and 3D metals is crucial for designing novel 2D/3D heterostructures and improving the performance of many 2D material devices. Here, we quantify and discuss the…

Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…

Materials Science · Physics 2023-01-18 Rongzhi Dong , Yuqi Song , Edirisuriya M. D. Siriwardane , Jianjun Hu

We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than…

The discovery of novel substrate materials has been dominated by trial and error, opening the opportunity for a systematic search. To identify stable crystal surfaces, we generate bonding networks for materials from the Materials Project…

Materials Science · Physics 2021-03-31 Joshua T. Paul , Alice Galdi , Christopher Parzyck , Kyle Shen , Richard G. Hennig

Previous studies of the growth of two-dimensional (2D) gallium selenide (GaSe) by molecular beam epitaxy (MBE) on a gallium arsenide (GaAs) three-dimensional (3D) substrate have reported significant differences in growth morphology,…

Recent experimental utilization of liquid substrate in the production of two-dimensional crystals, such as graphene, together with a general interest in amorphous materials, raises the following question: is it beneficial to use a liquid…

Statistical Mechanics · Physics 2022-03-14 Deborah Schwarcz , Stanislav Burov

Understanding the growth mechanisms of two-dimensional (2D) van der Waals (vdW) heterostructures is of great importance in exploring their functionalities and device applications. A custom-built system integrating physical vapor deposition…

Materials Science · Physics 2021-10-12 Kenan Zhang , Changchun Ding , Baojun Pan , Zhen Wu , Austin Marga , Lijie Zhang , Hao Zeng , Shaoming Huang

On the basis of the information theory approach we propose a novel statistical scheme for analyzing the evolution of coupled adsorbate-substrate systems, in which the substrate undergoes the adsorbate-induced transformations. A relation…

Statistical Mechanics · Physics 2009-11-10 E. V. Vakarin , J. P. Badiali
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