scholarly journals Elasticity-based-exfoliability measure for high-throughput computational exfoliation of two-dimensional materials

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Xiangzheng Jia ◽  
Qian Shao ◽  
Yongchun Xu ◽  
Ruishan Li ◽  
Kai Huang ◽  
...  
Keyword(s):  
First Principles ◽  
2D Materials ◽  
Two Dimensional ◽  
Threshold Values ◽  
Bulk Crystals ◽  
Mechanics Model ◽  
Elastic Tensor ◽  
Two Dimensional Materials ◽  
Critical Issues ◽  
Interlayer Bonding

AbstractTwo-dimensional (2D) materials are promising candidates for uses in next-generation electronic and optoelectronic devices. However, only a few high-quality 2D materials have been mechanically exfoliated to date. One of the critical issues is that the exfoliability of 2D materials from their bulk precursors is unknown. To assess the exfoliability of potential 2D materials from their bulk counterparts, we derived an elasticity-based-exfoliability measure based on an exfoliation mechanics model. The proposed measure has a clear physical meaning and is universally applicable to all material systems. We used this measure to calculate the exfoliability of 10,812 crystals having a first-principles calculated elastic tensor. By setting the threshold values for easy and potential exfoliation based on already-exfoliated materials, we predicted 58 easily exfoliable bulk crystals and 90 potentially exfoliable bulk crystals for 2D materials. As evidence, a topology-based algorithm indicates that there is no interlayer bonding topology for 93% predicted exfoliable bulk crystals, and the analysis on packing ratios shows that 99% predicted exfoliable bulk crystals exhibit a relatively low packing ratio value. Moreover, literature survey shows that 34 predicted exfoliable bulk crystals have been experimentally exfoliated into 2D materials. In addition, the characteristics of these predicted 2D materials were discussed for practical use of such materials.

scholarly journals Recent advances in mode-locked fiber lasers based on two-dimensional materials

Nanophotonics ◽  
2020 ◽  
Vol 9 (8) ◽  
pp. 2315-2340 ◽  
Author(s):  
Junli Wang ◽  
Xiaoli Wang ◽  
Jingjing Lei ◽  
Mengyuan Ma ◽  
Cong Wang ◽  
...  
Keyword(s):  
Fiber Lasers ◽  
2D Materials ◽  
Synthesis Methods ◽  
Two Dimensional ◽  
New Materials ◽  
Saturable Absorbers ◽  
Operating Wavelength ◽  
Recent Advances ◽  
Two Dimensional Materials ◽  
Diverse Mode

AbstractDue to the unique properties of two-dimensional (2D) materials, much attention has been paid to the exploration and application of 2D materials. In this review, we focus on the application of 2D materials in mode-locked fiber lasers. We summarize the synthesis methods for 2D materials, fiber integration with 2D materials and 2D materials based saturable absorbers. We discuss the performance of the diverse mode-locked fiber lasers in the typical operating wavelength such as 1, 1.5, 2 and 3 μm. Finally, a summary and outlook of the further applications of the new materials in mode-locked fiber lasers are presented.

scholarly journals A Universal Atomic Substitution Conversion Strategy Towards Synthesis of Large-Size Ultrathin Nonlayered Two-Dimensional Materials

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Mei Zhao ◽  
Sijie Yang ◽  
Kenan Zhang ◽  
Lijie Zhang ◽  
Ping Chen ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
2D Materials ◽  
Direct Synthesis ◽  
Two Dimensional ◽  
Covalent Bonds ◽  
2D Layered Materials ◽  
Large Size ◽  
Two Dimensional Materials ◽  
Microfabrication Technique ◽  
Atomic Substitution

AbstractNonlayered two-dimensional (2D) materials have attracted increasing attention, due to novel physical properties, unique surface structure, and high compatibility with microfabrication technique. However, owing to the inherent strong covalent bonds, the direct synthesis of 2D planar structure from nonlayered materials, especially for the realization of large-size ultrathin 2D nonlayered materials, is still a huge challenge. Here, a general atomic substitution conversion strategy is proposed to synthesize large-size, ultrathin nonlayered 2D materials. Taking nonlayered CdS as a typical example, large-size ultrathin nonlayered CdS single-crystalline flakes are successfully achieved via a facile low-temperature chemical sulfurization method, where pre-grown layered CdI2 flakes are employed as the precursor via a simple hot plate assisted vertical vapor deposition method. The size and thickness of CdS flakes can be controlled by the CdI2 precursor. The growth mechanism is ascribed to the chemical substitution reaction from I to S atoms between CdI2 and CdS, which has been evidenced by experiments and theoretical calculations. The atomic substitution conversion strategy demonstrates that the existing 2D layered materials can serve as the precursor for difficult-to-synthesize nonlayered 2D materials, providing a bridge between layered and nonlayered materials, meanwhile realizing the fabrication of large-size ultrathin nonlayered 2D materials.

Molecular Functionalization of 2D-Materials: From Atomically Planar 2D Architectures to Off-Plane 3D Functional Materials

2021 ◽  
Author(s):  
Adam Brill ◽  
Elad Koren ◽  
Graham de Ruiter
Keyword(s):  
2D Materials ◽  
Functional Materials ◽  
Two Dimensional ◽  
The Past ◽  
Two Dimensional Materials

Atomically thin two-dimensional materials (2DMs) have moved in the past 15 years from a serendipitously isolated single-layered graphene curiosity to a near technological renaissance, where 2DMs such as graphene and...

scholarly journals Molecular Scaffold Growth of Two-Dimensional, Strong Interlayer-Bonding-Layered Materials

CCS Chemistry ◽  
2019 ◽  
pp. 117-127 ◽  
Author(s):  
Mengqi Zeng ◽  
Yunxu Chen ◽  
Enze Zhang ◽  
Jiaxu Li ◽  
Rafael G. Mendes ◽  
...  
Keyword(s):  
2D Materials ◽  
Layered Materials ◽  
Max Phase ◽  
Future Application ◽  
Two Dimensional ◽  
Max Phases ◽  
Molecular Scaffold ◽  
Fundamental Properties ◽  
Synthesis Strategy ◽  
Interlayer Bonding

Currently, most two-dimensional (2D) materials that are of interest to emergent applications have focused on van der Waals–layered materials (VLMs) because of the ease with which the layers can be separated (e.g., graphene). Strong interlayer-bonding-layered materials (SLMs) in general have not been thoroughly explored, and one of the most critical present issues is the huge challenge of their preparation, although their physicochemical property transformation should be richer than VLMs and deserves greater attention. MAX phases are a classical kind of SLM. However, limited to the strong interlayer bonding, their corresponding 2D counterparts have never been obtained, nor has there been investigation of their fundamental properties in the 2D limitation. Here, the authors develop a controllable bottom-up synthesis strategy for obtaining 2D SLMs single crystal through the design of a molecular scaffold with Mo 2GaC, which is a typical kind of MAX phase, as an example. The superconducting transitions of Mo 2GaC at the 2D limit are clearly inherited from the bulk, which is consistent with Berezinskii–Kosterlitz–Thouless behavior. The authors believe that their molecular scaffold strategy will allow the fabrication of other high-quality 2D SLMs single crystals, which will further expand the family of 2D materials and promote their future application.

scholarly journals Band-gap tuning and optical response of two-dimensionalSixC1−x: A first-principles real-space study of disordered two-dimensional materials

2017 ◽  
Vol 96 (5) ◽  
Author(s):  
Banasree Sadhukhan ◽  
Prashant Singh ◽  
Arabinda Nayak ◽  
Sujoy Datta ◽  
Duane D. Johnson ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Optical Response ◽  
Real Space ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
Band Gap Tuning

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

2021 ◽  
Author(s):  
Bohayra Mortazavi ◽  
Masoud Shahrokhi ◽  
Xiaoying Zhuang ◽  
Alexander V. Shapeev ◽  
Timon Rabczuk
Keyword(s):  
First Principles ◽  
Thermal Transport ◽  
2D Materials ◽  
Layered Materials ◽  
Photocatalytic Properties ◽  
Two Dimensional ◽  
First Principles Calculations

In the latest experimental advances in the field of two-dimensional (2D) materials, penta-PdPS and penta-PdPSe layered materials have been fabricated. In this work, we conduct first-principles calculations to explore the...

Preparation of single-crystal metal substrates for the growth of high-quality two-dimensional materials

2021 ◽  
Vol 8 (1) ◽  
pp. 182-200
Author(s):  
Yanglizhi Li ◽  
Luzhao Sun ◽  
Haiyang Liu ◽  
Yuechen Wang ◽  
Zhongfan Liu
Keyword(s):  
Single Crystal ◽  
2D Materials ◽  
Controlled Growth ◽  
Two Dimensional ◽  
High Quality ◽  
Metal Substrates ◽  
Recent Advances ◽  
Two Dimensional Materials

Recent advances on preparing single-crystal metals and their crucial roles in controlled growth of high-quality 2D materials are reviewed.

2D materials towards ultrafast photonic applications

2020 ◽  
Vol 22 (39) ◽  
pp. 22140-22156
Author(s):  
Xin-Ping Zhai ◽  
Bo Ma ◽  
Qiang Wang ◽  
Hao-Li Zhang
Keyword(s):  
Optical Communications ◽  
2D Materials ◽  
Optical Limiting ◽  
Mode Locking ◽  
Optical Devices ◽  
Optical Modulation ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
All Optical ◽  
Ultrafast Photonics

Two-dimensional materials are now excelling in yet another arena of ultrafast photonics, including optical modulation through optical limiting/mode-locking, photodetectors, optical communications, integrated miniaturized all-optical devices, etc.

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