二氧化硅纳米管的稳定性及尺寸效应
徐灿， 曹娟， 朱莉芳， 高晨阳 - 物理化学学报, 2006 - whxb.pku.edu.cn
摘要运用密度泛函计算, 对无水(SiO2 鄄NTs) 和水合(SiO2 鄄WNTs) 的SiO2
纳米管进行结构优化和频率计算, 研究了与尺寸有关的平均结合能和红外光谱. SiO2 鄄WNTs …
纳米管进行结构优化和频率计算, 研究了与尺寸有关的平均结合能和红外光谱. SiO2 鄄WNTs …
Stability and size effect of silica nanotube
C Xu, J Cao, L Zhu, C Gao - Acta Physico-Chimica Sinica, 2006 - Elsevier
The structure and infrared vibration of silica nanotubes with anhydrous structure (SiO2-NTs)
and hydrogen-capped structure (SiO2-WNTs) were investigated using density-functional …
and hydrogen-capped structure (SiO2-WNTs) were investigated using density-functional …
The effect of adsorption and grafting on the acidity of [(HSO3) C3C1im]+[Cl]− on the surface of (SiO2) 4O2H4 clusters
Q Yang, H Yang, X Ding, W Xue, S Sun - Journal of Molecular Graphics …, 2020 - Elsevier
Both adsorption and graft of active components on the surface of the silica are paramount
methods for preparing heterogeneous catalysts. In this paper, the acidity of [(HSO 3) …
methods for preparing heterogeneous catalysts. In this paper, the acidity of [(HSO 3) …
Effect of polar groups on Raman spectrum of one dimension SiO2 nanowires
C Xu, XF Zhang, L Chen, J Cao - Journal of Molecular Structure …, 2008 - Elsevier
Raman vibration spectra of nanoscaled anhydrous and hydrous (SiO2) n (n= 6–20) of single-
line, double-line and ring conformations have been calculated using the density functional …
line, double-line and ring conformations have been calculated using the density functional …
DFT study of geometries and stability of Bn clusters (n= 2-8)
DM Li, ZH Xiong, QX Wan, GD Liu… - Photonics and …, 2009 - spiedigitallibrary.org
With density functional theory (DFT), the structures and stability of B n clusters with n= 2-8
have been studied. By using the all electron basis, all the geometries have been globally …
have been studied. By using the all electron basis, all the geometries have been globally …