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Vertically stacked heterojunctions have garnered significant attention for their tunable electronic structures and photocatalytic performance, making them promising candidates for next-generation nanodevices. Using first-principles…

材料科学 · 物理学 2025-07-18 Liuzhu Yang , Wenhui Wan , Zhicui Wang , Qiuyue Ma , Yanfeng Ge , Yong Liu

Vertical and lateral heterostructures of van der Waals materials provide tremendous flexibility for band structure engineering. Since electronic bands are sensitively affected by defects, strain, and interlayer coupling, the edge and…

Two-dimensional semiconductors - atomic layers of materials with covalent intra-layer bonding and weak (van der Waals or quadrupole) coupling between the layers - are a new class of materials with great potential for optoelectronic…

Few-layer InSe draws tremendous research interests owing to the superior electronic and optical properties. It exhibits high carrier mobility up to more than 1000 cm2/Vs at room temperature. The strongly layer-tunable band gap spans a large…

介观与纳米尺度物理 · 物理学 2020-08-12 Chaoyu Song , Shenyang Huang , Chong Wang , Jiaming Luo , Hugen Yan

A decade of intense research on two-dimensional (2D) atomic crystals has revealed that their properties can differ greatly from those of the parent compound. These differences are governed by changes in the band structure due to quantum…

The integration of different two-dimensional materials within a multilayer van der Waals (vdW) heterostructure offers a promising technology for realizing high performance opto-electronic devices such as photodetectors and light sources1-3.…

Van der Waals heterostructures have recently garnered interest for application in high-performance photovoltaic materials. Consequently, understanding the basic electronic characteristics of these heterostructures is important for their…

计算物理 · 物理学 2019-10-07 Maolin Bo , Hanze Li , Zhongkai Huang , Lei Li , Chuang Yao

Two-dimensional (2D) materials are a new type of materials under intense study because of their interesting physical properties and wide range of potential applications from nanoelectronics to sensing and photonics. Monolayers of…

Based on first-principles calculations, the materials properties (structural, electronic, vibrational, and optical properties) of out-of-plane heterostructures formed from the transiti on metal dichalcogenides, specifically MoS$_2$-WSe$_2$…

材料科学 · 物理学 2016-03-23 Bin Amin , Thaneshwor P. Kaloni , Georg Schreckenbach , Michael S. Freund

Metal mono-chalcogenide compounds offer a large variety of electronic properties depending on chemical composition, number of layers and stacking-order. Among them, the InSe has attracted much attention due to the promise of outstanding…

In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…

We study the electronic structure of a heterojunction made of two monolayers of MoS2 and WS2. Our first-principles density functional calculations show that, unlike in the homogeneous bilayers, the heterojunction has an optically active…

介观与纳米尺度物理 · 物理学 2013-06-11 Krzysztof Kośmider , Joaquín Fernández-Rossier

Achieving low contact resistance in advanced quantum electronic devices remains a critical challenge. With the growing demand for faster and energy-efficient devices, 2D contact engineering offers a promising solution. Beyond graphene,…

Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…

Combining monolayers of different two-dimensional (2D) semiconductors into heterostructures opens up a wealth of possibilities for novel electronic and optical functionalities. Exploiting them hinges on accurate measurements of the band…

Lateral heterostructures of 2D transition metal dichalcogenide offer a powerful platform to investigate photonic and electronic phenomena at atomically sharp interfaces. However, their controlled engineering, including tuning lateral domain…

Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristic, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles…

材料科学 · 物理学 2017-12-19 Andrey A. Kistanov , Yongqing Cai , Kun Zhou , Sergey V. Dmitriev , Yong-Wei Zhang

First-principles calculations are performed to investigate the effects of the adsorption of gas molecules (CO, NO, NO2, H2S, N2, H2O, O2, NH3 and H2) on the electronic properties of atomically thin indium selenium (InSe). Our study shows…

材料科学 · 物理学 2017-04-17 Yongqing Cai , Gang Zhang , Yong-Wei Zhang

Bandgap engineering and quantum confinement in semiconductor heterostructures provide the means to fine-tune material response to electromagnetic fields and light in a wide range of the spectrum. Nonetheless, forming semiconductor…

Atomically thin films of III-VI post-transition metal chalcogenides (InSe and GaSe) form an interesting class of two-dimensional semiconductor that feature strong variations of their band gap as a function of the number of layers in the…

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