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| 1 | Rolling structure from bilayer nanofilm by mismatch显示文摘A continuum theoretical scheme for self-rolling nanotubes from bilayers by mismatch is obtained by considering surface elasticity,surface stress,and symmetry lowering effects.For an ultrathin nanofilm with only several nanometers in thickness,isotropic mismatch,and isotropic surface stress usually induce anisotropic rolling behavior.The isotropic Timoshenko formula should be modified anisotropically to explain the mechanical behavior of anisotropic rolling structure of nanotubes accurately.The nanofilm rolls up in tangential direction while remaining straight in cylindrical direction theoretically.Therefore,in this paper the anisotropic shape of nanotubes is taken into consideration.Along the cylindrical direction,although it maintains straight and its residual strain is uniform,the stress varies in the radial direction due to the Poisson's effect of tangential strain.The results of the current theory applied to Si-Si nanotube,InAs-GaAs nanotube,and InGaAs-Cr nanotube systems show good agreement with the experimental data.Beside the surface elasticity effect and surface stress effect,the symmetry breaking and the anisotropic rolling structure are of great importance in theoretically describing the mechanical behavior of rolling-up of nanotubes. | 李建刚 耿小丕 高倩男 朱俊 高志翔 朱弘伟 | 2023 | Chinese Physics B2023，32，12： | 0 |
| 2 | Theoretical characterization of the adsorption configuration of pyrrole on Si(100)surface by x-ray spectroscopy显示文摘The possible configurations of pyrrole absorbed on a Si(100)surface have been investigated by x-ray photoelectron spectroscopy(XPS)and near-edge x-ray absorption fine structure(NEXAFS)spectra.The C-1s XPS and NEXAFS spectra of these adsorption configurations have been calculated by using the density functional theory(DFT)method and fullcore hole(FCH)approximation to investigate the relationship between the adsorption configurations and the spectra.The result shows that the XPS and NEXAFS spectra are structurally dependent on the configurations of pyrrole absorbed on the Si(100)surface.Compared with the XPS,the NEXAFS spectra are relatively sensitive to the adsorption configurations and can accurately identify them.The NEXAFS decomposition spectra produced by non-equivalent carbon atoms have also been calculated and show that the spectral features vary with the diverse types of carbon atoms and their structural environments. | 李好情 明静 姜志昂 李海波 马勇 宋秀能 | 2024 | Chinese Physics B2024，33，2： | 0 |
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