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首页> 外文期刊>Journal of Materials Research >Transparency of modified vinyl-silsesquioxane films and its validation by computing energy-band structure
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Transparency of modified vinyl-silsesquioxane films and its validation by computing energy-band structure

机译：改性乙烯基倍半硅氧烷膜的透明性及其能带结构的计算验证

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摘要

Using vinyl-silsesquioxane modified with various amounts of tetraethoxysilane (TEOS) and titanium tetrabutoxide (TTB), two kinds of hybrid films, film-vinyl-silsesquioxane-TEOS (f-VSTE) and film-vinyl-silsesquioxane-TTB (f-VSTT), were prepared. The average transparency (AT) of the modified films was measured in the ranges of the visible light region (400-750 nm) and in the near-infrared region (750-2500 nm). The AT values in these ranges are about 88% to 94%, indicating that these high-AT films can provide crops with growth energy and improvement of the photosynthetic process efficiency. The TEOS additions result in a hybrid structure (containing SiO_2); an adequate addition can cause an increase in the AT radiation from sunlight. On the other hand, the TTB additions result in a hybrid structure (containing TiO_2) that causes a decrease in the AT. These results were validated using molecular dynamic simulation and were calculated (with Materials Stutio software) using the density of states and the energy-band structure of the vinyl-SSO, SiO_2, and TiO_2 building blocks.
机译：使用经各种量的四乙氧基硅烷（TEOS）和四丁氧基钛（TTB）改性的乙烯基倍半硅氧烷，两种混合薄膜，即薄膜乙烯基倍半硅氧烷-TEOS（f-VSTE）和薄膜乙烯基倍半硅氧烷-TTB（f-VSTT） ），进行了准备。在可见光区域（400-750nm）和近红外区域（750-2500nm）的范围内测量改性膜的平均透明度（AT）。在这些范围内的AT值约为88％至94％，表明这些高AT膜可以为作物提供生长能量并提高光合作用效率。加入TEOS会形成杂化结构（包含SiO_2）；适当的添加会导致日光下的AT辐射增加。另一方面，添加TTB会导致杂化结构（包含TiO_2），导致AT降低。这些结果已使用分子动力学模拟进行了验证，并使用乙烯基-SSO，SiO_2和TiO_2构建基块的态密度和能带结构进行了计算（使用Materials Stutio软件）。

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  • 来源
    《Journal of Materials Research》 |2010年第1期|76-81|共6页
  • 作者

    Xiao-Dong Chen; Di Wang; De-Rong Lin; Qun Zhang; Li-Jiang Hu;

  • 作者单位

    School of Economic and Management, Harbin Institute of Technology, Harbin 150001, China;

    Chemistry Department, Harbin Institute of Technology, Harbin 150001, China;

    Chemistry Department, Harbin Institute of Technology, Harbin 150001, China;

    Chemistry Department, Harbin Institute of Technology, Harbin 150001, China;

    Chemistry Department, Harbin Institute of Technology, Harbin 150001, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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  • 正文语种 eng
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