scholarly journals Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Xin Luo ◽  
Xin Lu ◽  
Chunxiao Cong ◽  
Ting Yu ◽  
Qihua Xiong ◽  
...  
Keyword(s):  
Layered Materials ◽  
Stacking Sequence ◽  
2D Layered Materials ◽  
Interlayer Shear ◽  
Bond Polarizability ◽  
Shear Modes ◽  
Raman Intensities

scholarly journals Pressure-Induced Variation of The Crystal Stacking Order in the Hydrogen-Bonded Quasi-Two-Dimensional Layered Material Cu(OH)Cl

Materials ◽  
2021 ◽  
Vol 14 (17) ◽  
pp. 5019
Author(s):  
Hui Tian ◽  
Meiling Wang ◽  
Jian Zhang ◽  
Yanmei Ma ◽  
Hang Cui ◽  
...  
Keyword(s):  
Monoclinic Phase ◽  
Orthorhombic Phase ◽  
Building Blocks ◽  
Layered Materials ◽  
Stacking Sequence ◽  
X Ray Diffraction ◽  
Stacking Order ◽  
2D Layered Materials ◽  
Induced Changes ◽  
Hydrogen Bonded

The crystal stacking order plays a crucial role in determining the structure and physical properties of 2D layered materials. A variation in the stacking sequence of adjacent 2D building blocks causes drastic changes in their functionalities. In this work, the structural variation of belloite (Cu(OH)Cl), as a function of pressure, is presented. Through in situ synchrotron X-ray diffraction and Raman scattering studies, in combination with first-principles theoretical simulations, a structural transformation from the initial monoclinic phase into an orthorhombic one has been established at 18.7 GPa, featuring variations in the stacking sequence of the tectonic monolayers. In the monoclinic phase, they are arranged in an AAAA sequence. While in the orthorhombic phase, the monolayers are stacked in an ABAB sequence. Such phenomena are similar to those observed in van der Waals 2D materials, with pressure-induced changes in the stacking order between layers. In addition, an isostructural phase transition within the initial monoclinic phase is also observed to occur at 12.9–16 GPa, which is associated with layer-sliding and a change in hydrogen bond configuration. These results show that Cu(OH)Cl, as well as other hydrogen-bonded 2D layered materials, can provide a convenient platform for studying the effects of the crystal stacking order.

scholarly journals Interlayer bond polarizability model for stacking-dependent low-frequency Raman scattering in layered materials

Nanoscale ◽  
2017 ◽  
Vol 9 (40) ◽  
pp. 15340-15355 ◽  
Author(s):  
Liangbo Liang ◽  
Alexander A. Puretzky ◽  
Bobby G. Sumpter ◽  
Vincent Meunier
Keyword(s):  
Simple Model ◽  
Raman Scattering ◽  
2D Materials ◽  
Low Frequency ◽  
Layered Materials ◽  
Bond Polarizability ◽  
Raman Intensities ◽  
Interlayer Bond

A simple model is developed to reveal the stacking dependence of Raman intensities of interlayer vibrations in 2D materials.

scholarly journals Engineering symmetry breaking in 2D layered materials

2021 ◽  
Author(s):  
Luojun Du ◽  
Tawfique Hasan ◽  
Andres Castellanos-Gomez ◽  
Gui-Bin Liu ◽  
Yugui Yao ◽  
...  
Keyword(s):  
Symmetry Breaking ◽  
Layered Materials ◽  
2D Layered Materials

scholarly journals Opto-electro-mechanical percolative composites from 2D layered materials: Properties and applications in strain sensing

2019 ◽  
Vol 182 ◽  
pp. 107687 ◽  
Author(s):  
Sangram Mazumder ◽  
Jorge A. Catalan ◽  
Alberto Delgado ◽  
Hisato Yamaguchi ◽  
Claudia Narvaez Villarrubia ◽  
...  
Keyword(s):  
Layered Materials ◽  
Strain Sensing ◽  
Materials Properties ◽  
2D Layered Materials

First-principles investigation of copper diffusion barrier performance in defective 2D layered materials

2022 ◽  
Author(s):  
Manareldeen Ahmed ◽  
Yan Li ◽  
Wenchao Chen ◽  
Erping Li
Keyword(s):  
Barrier Layer ◽  
Diffusion Barrier ◽  
First Principles ◽  
Energy Barrier ◽  
2D Materials ◽  
Diffusion Path ◽  
Layered Materials ◽  
Vacancy Defects ◽  
2D Layered Materials ◽  
Barrier Performance

Abstract This paper investigates the diffusion barrier performance of 2D layered materials with pre-existing vacancy defects using first-principles density functional theory. Vacancy defects in 2D materials may give rise to a large amount of Cu accumulation, and consequently, the defect becomes a diffusion path for Cu. Five 2D layered structures are investigated as diffusion barriers for Cu, i.e., graphene with C vacancy, hBN with B/N vacancy, and MoS2 with Mo/2S vacancy. The calculated energy barriers using climbing image - nudged elastic band show that MoS2-V2S has the highest diffusion energy barrier among other 2D layers, followed by hBN-VN and graphene. The obtained energy barrier of Cu on defected layer is found to be proportional to the length of the diffusion path. Moreover, the diffusion of Cu through vacancy defects is found to modulate the electronic structures and magnetic properties of the 2D layer. The charge density difference shows that there exists a considerable charge transfer between Cu and barrier layer as quantified by Bader charge. Given the current need for an ultra-thin diffusion barrier layer, the obtained results contribute to the field of application of 2D materials as Cu diffusion barrier in the presence of mono-vacancy defects.

Chemical and structural stability of 2D layered materials

2D Materials ◽  
2019 ◽  
Vol 6 (4) ◽  
pp. 042001 ◽  
Author(s):  
Xuewen Wang ◽  
Yinghui Sun ◽  
Kai Liu
Keyword(s):  
Structural Stability ◽  
Layered Materials ◽  
2D Layered Materials

scholarly journals 3D-printed and injection molded polymer matrix composites with 2D layered materials

2020 ◽  
Vol 38 (4) ◽  
pp. 042201 ◽  
Author(s):  
Gerardo Gamboa ◽  
Sangram Mazumder ◽  
Nathalie Hnatchuk ◽  
Jorge A. Catalan ◽  
Damaris Cortes ◽  
...  
Keyword(s):  
Polymer Matrix ◽  
Polymer Matrix Composites ◽  
Layered Materials ◽  
Matrix Composites ◽  
2D Layered Materials ◽  
3D Printed ◽  
Injection Molded
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