Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure
Abstract Interlayer coupling in two-dimensional (2D) layered nanomaterials can provide us strategies to evoke their superior properties, such as the layer-dependent phonon vibration, the formation of moiré excitons and related nontrivial topology. However, to accurately quantify interlayer potential...
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Nature Portfolio
2025-05-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-60211-8 |
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| author | Guoshuai Du Lili Zhao Shuchang Li Jing Huang Susu Fang Wuxiao Han Jiayin Li Yubing Du Jiaxin Ming Tiansong Zhang Jun Zhang Jun Kang Xiaoyan Li Weigao Xu Yabin Chen |
| author_facet | Guoshuai Du Lili Zhao Shuchang Li Jing Huang Susu Fang Wuxiao Han Jiayin Li Yubing Du Jiaxin Ming Tiansong Zhang Jun Zhang Jun Kang Xiaoyan Li Weigao Xu Yabin Chen |
| author_sort | Guoshuai Du |
| collection | DOAJ |
| description | Abstract Interlayer coupling in two-dimensional (2D) layered nanomaterials can provide us strategies to evoke their superior properties, such as the layer-dependent phonon vibration, the formation of moiré excitons and related nontrivial topology. However, to accurately quantify interlayer potential and further measure elastic properties of 2D materials remain challenging, despite significant efforts. Herein, the layer-dependent lattice dynamics and elastic constants of 2D nanomaterials have been systematically investigated via pressure-engineering strategy based on ultralow frequency Raman spectroscopy. The shear and layer-breathing modes Raman shifts of 2H-MoS2 with various thicknesses are analyzed by the monoatomic chain model (MCM). Intriguingly, it is found that the layer-dependent dω/dP of shear (S N,1) and breathing (LB N,N-1) modes display the opposite trends, quantitatively consistent with MCM analysis, our molecular dynamics simulations and density functional theory calculations. The diatomic chain model is combined with Raman data to analyze the intralayer and interlayer shear force constants and their pressure coefficients, revealing a strong dependence on the number of layers. These results can be generalized to other van der Waals systems, and may shed light on the potential applications of 2D materials in nanomechanics and nanoelectronics. |
| format | Article |
| id | doaj-art-bd4c760f3a464594996e317b8a34d2b5 |
| institution | OA Journals |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Nature Portfolio |
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| series | Nature Communications |
| spelling | doaj-art-bd4c760f3a464594996e317b8a34d2b52025-08-20T02:00:14ZengNature PortfolioNature Communications2041-17232025-05-011611910.1038/s41467-025-60211-8Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressureGuoshuai Du0Lili Zhao1Shuchang Li2Jing Huang3Susu Fang4Wuxiao Han5Jiayin Li6Yubing Du7Jiaxin Ming8Tiansong Zhang9Jun Zhang10Jun Kang11Xiaoyan Li12Weigao Xu13Yabin Chen14Advanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyState Key Laboratory of Coordination Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing UniversityMechano-X Institute, Applied Mechanics Laboratory, Department of Engineering Mechanics, Tsinghua UniversityBeijing Computational Science Research CenterState Key Laboratory of Coordination Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing UniversityAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyInstitute of Semiconductors, Chinese Academy of SciencesBeijing Computational Science Research CenterMechano-X Institute, Applied Mechanics Laboratory, Department of Engineering Mechanics, Tsinghua UniversityState Key Laboratory of Coordination Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing UniversityAdvanced Research Institute of Multidisciplinary Sciences (ARIMS), Beijing Institute of TechnologyAbstract Interlayer coupling in two-dimensional (2D) layered nanomaterials can provide us strategies to evoke their superior properties, such as the layer-dependent phonon vibration, the formation of moiré excitons and related nontrivial topology. However, to accurately quantify interlayer potential and further measure elastic properties of 2D materials remain challenging, despite significant efforts. Herein, the layer-dependent lattice dynamics and elastic constants of 2D nanomaterials have been systematically investigated via pressure-engineering strategy based on ultralow frequency Raman spectroscopy. The shear and layer-breathing modes Raman shifts of 2H-MoS2 with various thicknesses are analyzed by the monoatomic chain model (MCM). Intriguingly, it is found that the layer-dependent dω/dP of shear (S N,1) and breathing (LB N,N-1) modes display the opposite trends, quantitatively consistent with MCM analysis, our molecular dynamics simulations and density functional theory calculations. The diatomic chain model is combined with Raman data to analyze the intralayer and interlayer shear force constants and their pressure coefficients, revealing a strong dependence on the number of layers. These results can be generalized to other van der Waals systems, and may shed light on the potential applications of 2D materials in nanomechanics and nanoelectronics.https://doi.org/10.1038/s41467-025-60211-8 |
| spellingShingle | Guoshuai Du Lili Zhao Shuchang Li Jing Huang Susu Fang Wuxiao Han Jiayin Li Yubing Du Jiaxin Ming Tiansong Zhang Jun Zhang Jun Kang Xiaoyan Li Weigao Xu Yabin Chen Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure Nature Communications |
| title | Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure |
| title_full | Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure |
| title_fullStr | Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure |
| title_full_unstemmed | Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure |
| title_short | Interlayer engineering of lattice dynamics and elastic constants of 2D layered nanomaterials under pressure |
| title_sort | interlayer engineering of lattice dynamics and elastic constants of 2d layered nanomaterials under pressure |
| url | https://doi.org/10.1038/s41467-025-60211-8 |
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