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Wrinkles, Ridges, Miura-Ori, and Moiré Patterns in MoSe2 Using Neural Networks.
Aditya, Anikeya; Mishra, Ankit; Baradwaj, Nitish; Nomura, Ken-Ichi; Nakano, Aiichiro; Vashishta, Priya; Kalia, Rajiv K.
Afiliación
  • Aditya A; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Mishra A; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Baradwaj N; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Nomura KI; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Nakano A; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Vashishta P; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
  • Kalia RK; Collaboratory for Advanced Computing and Simulations, Department of Chemical Engineering and Materials Science, Department of Physics & Astronomy, and Department of Computer Science, University of Southern California, Los Angeles, California 90089, United States.
J Phys Chem Lett ; 14(7): 1732-1739, 2023 Feb 23.
Article en En | MEDLINE | ID: mdl-36757778
Effects of lateral compression on out-of-plane deformation of two-dimensional MoSe2 layers are investigated. A MoSe2 monolayer develops periodic wrinkles under uniaxial compression and Miura-Ori patterns under biaxial compression. When a flat MoSe2 monolayer is placed on top of a wrinkled MoSe2 layer, the van der Waals (vdW) interaction transforms wrinkles into ridges and generates mixed 2H and 1T phases and chain-like defects. Under a biaxial strain, the vdW interaction induces regions of Miura-Ori patterns in bilayers. Strained systems analyzed using a convolutional neural network show that the compressed system consists of semiconducting 2H and metallic 1T phases. The energetics, mechanical response, defect structure, and dynamics are analyzed as bilayers undergo wrinkle-ridge transformations under uniaxial compression and moiré transformations under biaxial compression. Our results indicate that in-plane compression can induce self-assembly of out-of-plane metasurfaces with controllable semiconducting and metallic phases and moiré patterns with unique optoelectronic properties.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos