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Van der Waals (vdW) heterostructures offer a tunable platform for the realization of emergent phenomena in layered electron systems. While scanning probe microscopy techniques have proven useful for the characterization of surface states…

Two-dimensional (2D) MoSi$_2$N$_4$ monolayer is an emerging class of air-stable 2D semiconductor possessing exceptional electrical and mechanical properties. Despite intensive recent research efforts devoted to uncover the material…

Materials Science · Physics 2021-02-03 Liemao Cao , Guanghui Zhou , Qianqian Wang , L. K. Ang , Yee Sin Ang

For sparse materials like graphitic systems and carbon nanotubes the standard density functional theory (DFT) faces significant problems because it cannot accurately describe the van der Waals interactions that are essential to the…

Materials Science · Physics 2009-11-10 Elsebeth Schroder , Per Hyldgaard

We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase diagrams, respectively. We employ density functional theory…

Materials Science · Physics 2019-05-10 Sam Azadi , Graeme J. Ackland

Van der Waals (vdW) solids, as a new type of artificial materials that consist of alternating layers bonded by weak interactions, have shed light on fascinating optoelectronic device concepts. As a result, a large variety of vdW devices…

van der Waals (vdW) heterojunctions formed by two-dimensional (2D) materials have attracted tremendous attention due to their excellent electrical/optical properties and device applications. However, current 2D heterojunctions are largely…

Mesoscale and Nanoscale Physics · Physics 2015-11-10 Daowei He , Yiming Pan , Haiyan Nan , Shuai Gu , Ziyi Yang , Bing Wu , Xiaoguang Luo , Bingchen Xu , Yuhan Zhang , Yun Li , Zhenhua Ni , Baigeng Wang , Jia Zhu , Yang Chai , Yi Shi , Xinran Wang

Interlayer coupling in two-dimensional (2D) layered nanomaterials can provide us novel strategies to evoke their superior properties, such as the exotic flat bands and unconventional superconductivity of twisted layers, the formation of…

Many monolayer transition metal dichalcogenides, including MoS$_2$, MoSe$_2$, WS$_2$, and WSe$_2$, are direct bandgap two-dimensional (2D) semiconductors with sharp optical resonances at excitonic bound state frequencies. Recent experiments…

Mesoscale and Nanoscale Physics · Physics 2025-10-27 Tobias M. R. Wolf , Tian Xie , Chenhao Jin , Allan H. MacDonald

We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals…

Materials Science · Physics 2015-02-27 Towfiq Ahmed , N. A. Modine , Jian-Xin Zhu

Designer heterostructures can now be assembled layer-by-layer with unmatched precision thanks to the recently developed deterministic placement methods to transfer two-dimensional (2D) materials. This possibility constitutes the birth of a…

We report the electronic structure and optical absorption spectra of monolayer black phosphorus (phosphorene) nanoribbons (PNRs) via first-principles simulations. The band gap of PNRs is strongly enhanced by quantum confinement. However,…

Mesoscale and Nanoscale Physics · Physics 2014-06-13 Vy Tran , Li Yang

Near-field optical microscopy can be used as a viable route to understand the nanoscale material properties below the diffraction limit. On the other hand, atomically thin two-dimensional (2D) transition metal dichalcogenides (TMDs) are the…

We report on the realization of a displacement sensor based on an optical nanofiber. A single gold nano-sphere is deposited on top of a nanofiber and the system is placed within a standing wave which serves as a position ruler. Scattered…

Vertical stacking of monolayers via van der Waals assembly is an emerging field that opens promising routes toward engineering physical properties of two-dimensional (2D) materials. Industrial exploitation of these engineering…

In this study nanoscale structure and associated energy dissipation behavior of nanoparticulates of tungsten disulphide (WS2) and nanoparticles of gold (Au) were investigated by advanced scanning probe and electron microscopy techniques.…

Mesoscale and Nanoscale Physics · Physics 2013-11-13 D. Devaprakasam

In 2D materials, the quantum confinement and van der Waals-type interlayer interactions largely govern the fundamental electronic and optical properties, and the dielectric screening plays a dominant role in the excitonic properties. This…

Mesoscale and Nanoscale Physics · Physics 2021-02-19 Guowei Zhang , Shenyang Huang , Fanjie Wang , Hugen Yan

The electronic structure and functionality of 2D materials is highly sensitive to structural morphology, opening the possibility for manipulating material properties, but also making predictable and reproducible functionality challenging.…

Mesoscale and Nanoscale Physics · Physics 2022-10-26 Prakriti P. Joshi , Ruiyu Li , Joseph L. Spellberg , Liangbo Liang , Sarah B. King

Stacking two-dimensional (2D) van der Waals materials with different interlayer atomic registry in a heterobilayer causes the formation of a long-range periodic superlattice that may bestow the heterostructure with exotic properties such as…

Light-emitting diodes (LEDs) based on III-V/II-VI materials have delivered a compelling performance in the mid-infrared (mid-IR) region, which enabled wide-ranging applications, including environmental monitoring, defense and medical…

Van der Waals torque determines the relative rotational motion between anisotropic objects, being of relevance to low-dimensional systems. Here we demonstrate a substantial torque between anisotropic two-dimensional materials that arises…

Computational Physics · Physics 2024-12-17 Zepu Kou , Yuquan Zhou , Zonghuiyi Jiang , Alexandre Tkatchenko , Xiaofei Liu
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