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Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal…

Computational Physics · Physics 2025-05-02 Wenwu Jiang , Hekai Bu , Ting Liang , Penghua Ying , Zheyong Fan , Jianbin Xu , Wengen Ouyang

van der Waals (vdW) layered transition-metal chalcogenides are attracting significant attention owing to their fascinating physical properties. This group of materials consists of abundant members with various elements, having a variety of…

Van der Waals heterostructure based on layered two-dimensional (2D) materials offers unprecedented opportunities to create materials with atomic precision by design. By combining superior properties of each component, such heterostructure…

The high-throughput (HT) computational method is a useful tool to screen high performance functional materials. In this work, using the deformation potential method under the single band model, we evaluate the carrier relaxation time and…

Materials Science · Physics 2019-12-24 Tiantian Jia , Zhenzhen Feng , Shuping Guo , Xuemei Zhang , Yongsheng Zhang

Novel materials with nontrivial electronic and photonic band topology are crucial for realizing novel devices with low power consumption and heat dissipation, and quantum computing free of decoherence. Here using first-principles approach,…

Materials Science · Physics 2017-01-18 Junwei Liu , Hua Wang , Chen Fang , Liang Fu , Xiaofeng Qian

Thermoelectric power generation has been recognized as one of the most important technologies, and high-performance thermoelectric materials have long been pursued. However, because of the large number of candidate materials, this quest is…

Materials Science · Physics 2017-12-21 Masayuki Ochi , Hidetomo Usui , Kazuhiko Kuroki

Inorganic semiconductor materials are integral to various modern technologies, yet their brittleness and limited deformability/processability pose a significant challenge in the development of flexible, wearable, and miniaturized…

Materials Science · Physics 2023-12-12 Yandong Sun , Yupeng Ma , Jin-yu Zhang , Tian-Ran Wei , Xun Shi , David Rodney , Ben Xu

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess intrinsic van der Waals gap at the layer interface allowing for remarkable tunability of the optoelectronic features via external intercalation of…

Materials Science · Physics 2024-11-25 Srihari M. Kastuar , Christopher Rzepa , Srinivas Rangarajan , Chinedu E. Ekuma

Two-dimensional van der Waals (vdW) materials exhibit a broad palette of unique and superlative properties, including high electrical and thermal conductivities, paired with the ability to exfoliate or grow and transfer single layers onto a…

Materials Science · Physics 2023-02-22 Cameron Foss , Zlatan Aksamija

Understanding the electronic transport properties of layered, van der Waals transition metal halides (TMHs) and chalcogenides is a highly active research topic today. Of particular interest is the evolution of those properties with changing…

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…

Thermoelectricity is a next-generation solution for efficient waste heat management. Although various thermoelectric materials exist, there is still a lot of scope for advancement, especially in room temperature applications. Recently,…

Materials Science · Physics 2023-08-10 Subrahmanyam Bandaru , Agnieszka M. Jastrzębska , Magdalena Birowska

Transition metal dichalcogenides (TMDs) are considered an advantageous alternative to their celebrated two-dimensional (2D) van der Waals akin compound, graphene, for a number of applications, especially those requiring a gapped and…

Materials Science · Physics 2025-02-18 I. Pallecchi , N. Manca , B. Patil , L. Pellegrino , D. Marre'

In this paper, we propose van del Waals heterostructure-based thermionic devices for the applications in cooling and power generation in the temperature range of 300 to 400 K. By using two-dimensional materials of low cross-plane thermal…

Mesoscale and Nanoscale Physics · Physics 2015-09-07 Shi-Jun Liang , Lay Kee Ang

Van der Waals heterostructures formed by stacking of various two-dimensional materials are promising in electronic applications. However, the performances of most reported electronic devices based on van der Waals heterostructures are far…

Mesoscale and Nanoscale Physics · Physics 2019-04-04 Wei Li , Xiang Xiao , Huilong Xu

The investigation of 2D van der Waals (vdW) materials is a vibrant, fast moving and still growing interdisciplinary area of research. 2D vdW materials are truly 2D crystals with strong covalent in-plane bonds and weak van der Waals…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 Ursula Wurstbauer , Bastian Miller , Eric Parzinger , Alexander W. Holleitner

We search for novel two-dimensional materials that can be easily exfoliated from their parent compounds. Starting from 108423 unique, experimentally known three-dimensional compounds we identify a subset of 5619 that appear layered…

Assembling atomic layers of van der Waals materials (vdW) combines the physics of two materials, offering opportunities for novel functional devices. Realization of this has been possible because of advancements in nanofabrication processes…

An advanced modeling approach is presented to shed light on the thermal transport properties of van der Waals materials (vdWMs) composed of single-layer transition metal dichalcogenides (TMDs) stacked on top of each other with a total or…

Materials Science · Physics 2020-10-08 Sara Fiore , Mathieu Luisier

The synthesis of new materials with novel or useful properties is one of the most important drivers in the fields of condensed matter physics and materials science. Discoveries of this kind are especially significant when they point to…

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