Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
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Optimized geometries, formation energy, phonon spectra, electronic band structure, and elastic tensor calculation has ensured the energetically, dynamical and mechanical stability for the sheets. Furthermore, the theoretically found nanosheet series possess an intrinsic wide direct band gap preserving from wurtzite tetragonal-based bonding. This high symmetry wide bandgap semiconductor nanosheet series and their derivatives are expected to have broad applications in photocatalysis, and biomedicine.
Nội dung trích xuất từ tài liệu:
Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
Nội dung trích xuất từ tài liệu:
Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
Tìm kiếm theo từ khóa liên quan:
Density functional theory Tight binding Spheroidal cage-like ZnO polymorph Mechanical properties of few-layer porous nanosheet Electronic of few-layer porous nanosheetGợi ý tài liệu liên quan:
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