title: A density functional theory study on the structure stability of silica nanoclusters.
abstract: The studies of silica nanoclusters are of substantial interest for large potential in applications as diverse as photonics/optics, microelectronics and catalysis. In this study, we used the basing-hopping method with Buckingham potential to get the stable structures of silica nanoclusters ((SiO2)(n) = 1-13). The global minimum geometry of silica nanoclusters were determined by density functional theory calculation. We investigated the energy gap, binding energy and second order energy difference of nanoclusters to determine their structural stability with different sizes. We also calculate the second-order energy difference, binding energy to determine the magic number.
authors: Department of Mechanical and Electro-Mechanical Engineering, National Sun Yat-Sen University, Kaohsiung, 804 Taiwan, ROC.
authors: Ken-Huang
authors: KH
authors: Lin
authors: Hsin-Tsung
authors: HT
authors: Chen
authors: Hui-Lung
authors: HL
authors: Chen
authors: Jenn-Sen
authors: JS
authors: Lin
authors: Shin-Pon
authors: SP
authors: Ju
authors: Ching-Fang
authors: CF
authors: Tseng
authors: Cheng-Hsing
authors: CH
authors: Hsu
authors: Hsi-Wen
authors: HW
authors: Yang
authors: Kuan-Fu
authors: KF
authors: Lin
authors: Meng-Hsiung
authors: MH
authors: Weng