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DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion 期刊论文
INORGANIC CHEMISTRY, 2017, 卷号: 56, 期号: 10, 页码: 5636-5645
Authors:  Bashir, B (Bashir, Beenish);  Zhang, BB (Zhang, Bingbing);  Lee, MH (Lee, Ming-Hsien);  Pan, SL (Pan, Shilie);  Yang, ZH (Yang, Zhihua)
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DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals 期刊论文
CRYSTAL GROWTH & DESIGN, 2016, 卷号: 16, 期号: 9, 页码: 5067-5073
Authors:  Bashir, B (Bashir, Beenish);  Zhang, BB (Zhang, Bingbing);  Lei, BH (Lei, Bing-Hua);  Yang, ZH (Yang, Zhihua);  Lee, MH (Lee, Ming-Hsien);  Pan, SL (Pan, Shilie)
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Evidence of "new hot spots'' from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na3VO2B6O11 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 7, 页码: 5338-5344
Authors:  Su, X (Su, Xin);  Yang, ZH (Yang, Zhihua);  Lee, MH (Lee, Ming-Hsien);  Pan, SL (Pan, Shilie);  Wang, Y (Wang, Ying);  Fan, XY (Fan, Xiaoyun);  Huang, ZJ (Huang, Zhenjun);  Zhang, BB (Zhang, Bingbing)
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p-(p, pi*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn-1B2n-1O4n-2 (M = Cs/Rb, n=3, 4, 6) 期刊论文
Journal of Materials Chemistry C, 2014, 卷号: 2, 期号: 21, 页码: 4133-4141
Authors:  Zhang, BB (Zhang, Bingbing);  Yang, ZH (Yang, Zhihua);  Yang, Y (Yang, Yun);  Lee, MH (Lee, Ming-Hsien);  Pan, SL (Pan, Shilie);  Jing, Q (Jing, Qun);  Su, X (Su, Xin)
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Experimental and Theoretical Studies on the Linear and Nonlinear Optical Properties of Bi2ZnOB2O6 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 27, 页码: 14149-14157
Authors:  Su Xin;  Wang Ying;  Yang Zhihua;  Huang Xu-Chu;  Pan Shilie;  Li Feng;  Lee Ming-Hsien
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Electronic structure and optical properties of the nonlinear optical crystal Pb4O(BO3)(2) by first-principles calculations 期刊论文
JOURNAL OF SOLID STATE CHEMISTRY, 2013, 卷号: 198, 期号: 2, 页码: 77-80
Authors:  Yang Zhihua;  Pan Shilie;  Yu Hongwei;  Lee Ming-Hsien
Adobe PDF(656Kb)  |  Favorite  |  View/Download:168/0  |  Submit date:2013/11/07
First-principles Calculation  Nonlinear Optical Crystal  Electronic Structure  Optical Property  Lone Pair