硅基纳米结构材料的理论计算研究

21273122
2012
B0301.化学理论与方法
吕文彩
面上项目
教授
青岛大学
78万元
纯的和掺杂的硅纳米结构;硅金纳米结构;TB;硅氧纳米结构;硅基纳米结构材料;方法
2013-01-01到2016-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Theoretical study of hydrated Ca2+-amino acids (glycine, threonine and phenylalanine) clusters 期刊论文 Peng-Hua Qin|Wei Zhang|Wen-Cai Lu|
2 Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene 期刊论文 Wei Zhang|Peng-Hua Qin|C.Z. Wang|K.M. Ho|
3 Endohedral cage and layered structures of Al46 期刊论文 Wei Qin|Qing-Jun Zang|C.Z. Wang|K.M. Ho|
4 Geometric and electronic structures of potassium-adsorbed rubrene complexes 期刊论文 Tsung-Lung Li|Wen-Cai Lu|
5 Hybrid silicon-carbon nanostructures for broadband optical absorption 期刊论文 Wen-Hua Yang|Wen-Cai Lu|K. M. HO|C. Z. Wang|
6 Optical properties of Si220 nanoclusters from time-dependent density functional theory calculations 期刊论文 Wen-Cai Lu|Xu-Yan Xue|Qing-Jun Zang|C. Z. Wang|
7 Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes 期刊论文 Tsung-Lung Li|Wen-Cai Lu|
8 Structures and stability of metal-doped GenM (n = 9, 10) clusters 期刊论文 Zhao, Li-Zhen|Zang, Qing-Jun|Wang, C.Z.|Ho, K.M.|
9 Comparison of Snn (n=2-15) Neutral and Ionic Structures 期刊论文 Chen Guang-Ju|Qin Wei|Zhao Li-Zhen|Lu Wen-Cai|
10 Theoretical study on the structures and optical absorption of Si172 nanoclusters 期刊论文 Zhao, Li-Zhen|Zang, Qing-Jun|Wang, C.Z.|Ho, K.M.|
11 A theoretical study on CO sensing mechanism of In-doped SnO2 (1 1 0) surface 期刊论文 Wen-Hua Yang|Wen-Cai Lu|Xu-Yan Xue|Qin-Jun Zang|
12 Applicationof Koopmans’ theorem for density functional theory to full valence-bandphotoemission spectroscopy modeling 期刊论文 Tsung Lung Li|Wen-Cai Lu|
13 Structures and electronic properties of the SiAun (n= 17-20) clusters 期刊论文 Li-Zhen Zhao|Wei Qin|Wen-Hua Yang|Xu-Yan Xue|
14 Theoretical Study on the Complexes of Calcium Ion with Amino Acids 期刊论文 Lu Wen-Cai|Qin Wei|Zhang Wei|Xie Hui|
15 Structural Transitions of Tin Clusters: Snn (n = 34 - 44) 期刊论文 Qing-Jun Zang|Wen-Cai Lu|Guang-Ju Chen|
16 Three-center tight-binding potential model for C and Si 期刊论文 C.Z. Wang|Li-Zhen Zhao|Wei Qin|K.M. Ho|
17 How big does a Si nanocluster favor bulk bonding geometry? 期刊论文 Wen-Hua Yang|Wen-Cai Lu|C.Z. Wang|K. M. Ho|
18 Si78 double cage structure and special optical properties. 期刊论文 Su, Wan-Sheng|Qin, Wei|Wang, C Z|Ho, K M|
19 Structural and electronic characteristics of intercalated monopotassium–rubrene: Simulation on a commodity computing cluster 期刊论文 Tsung-Lung Li|Wen-Cai Lu|
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