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Transparency of modified vinyl-silsesquioxane films and its validation by computing energy-band structure

Published online by Cambridge University Press:  31 January 2011

Xiao-Dong Chen ,
Di Wang ,
De-Rong Lin ,
Qun Zhang  and
Li-Jiang Hu
Xiao-Dong Chen
Affiliation:
School of Economic and Management, Harbin Institute of Technology, Harbin 150001, China
Li-Jiang Hu*
Affiliation:
Chemistry Department, Harbin Institute of Technology, Harbin 150001, China
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

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 SiO2); 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 TiO2) 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, SiO2, and TiO2 building blocks.

Keywords

Optical propertiesOrganometallicThin film
Type
Articles
Information
Journal of Materials Research , Volume 25 , Issue 1: Photocatalysis for Energy and Environmental Sustainability , January 2010 , pp. 76 - 81
Copyright
Copyright © Materials Research Society 2010

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References

REFERENCES

1.You, T., Barnett, S.M.Effect of light quality on production of extracellular polysaccharides and growth rate of Porphyridium cruentum. Biochem. Eng. J. 19, 251 (2004)CrossRefGoogle Scholar
2.Grobbelaar, J.U., Nedbal, L., Tichy, V.Influence of high frequency light/dark fluctuations on photosynthetic characteristics of microalgae photoacclimated to different light intensities and implications for mass algal cultivation. J. Appl. Phycol. 8, (4–5)335 (1996)CrossRefGoogle Scholar
3.Bartok, J.W.Assimilation lighting for greenhouses. USDA Forest Service Rocky Mnt. Res. Station Proc. 28, 74 (2003)Google Scholar
4.Roberts, W.J.Let the sunshine in. Resource Eng. Technol. Sustainable World 8, (7)7 (2001)Google Scholar
5.Chen, P., Liu, T., Wang, D., Liu, Y., Hu, L-J.Silsesquioxane materials as sun protection factor ingredients and as films for greenhouse covers. Mater. Sci. Forum 610–613, 104 (2009)CrossRefGoogle Scholar
6.Arkles, B.Commercial applications of sol-gel-derived hybrid materials. MRS Bull. 26, 402 (2001)CrossRefGoogle Scholar
7.Wang, D., Chen, X-D., Zhang, X-W., Liu, Y., Hu, L-J.Enhancement corrosion resistance of (3-methacryloxypropyl)silsesquioxane hybrid films and its validation by gas-molecule diffusion coefficients using MD simulation. J. Sol-Gel. Sci. Technol. (Paris) 49, (3)293 (2009)CrossRefGoogle Scholar
8.Loy, D.A., Carpenter, J.P., Alam, T.M., Shaltout, R., Dorhout, P.K., Greaves, J., Small, J.H., Shea, K.J.Cyclization phenomena in the sol-gel polymerization of α, ω-bis(triethoxysilyl)alkanes and incorporation of the cyclic structures into network silsesquioxane polymers. J. Am. Chem. Soc. 121, 5413 (1999)CrossRefGoogle Scholar
9.Loy, D.A.Hybrid organic-inorganic materials. MRS Bull. 26, (5)364 (2001)CrossRefGoogle Scholar
10.Soles, C.L., Lin, E.K., Wu, W-L., Zhang, C-X., Laine, R.M.Structural evolution of silsesquioxane-based organic/inorganic nanocomposite networks (Mater. Res. Soc. Symp. Proc 628, Warrendale, PA 2000)CC4.2.1Google Scholar
11.Maiez-Tribut, S., Pascault, J.P., Soule, E.R., Borrajo, J., Williams, R.J.J.Nanostructured epoxies based on the self-assembly of block copolymers: A new miscible block that can be tailored to different epoxy formulations. Macromolecules 40, 1268 (2007)CrossRefGoogle Scholar
12.Zhang, X-W., Hu, L-J., Sun, D-Z., Zhao, W.Study of three-dimensional configurations of organic/ inorganic hybrid nanostructural blocks: A quantum chemical investigation for cage structure of (γ-glycidoxypropyl)silsesquioxanes. J. Mol. Struct. 872, 197 (2008)CrossRefGoogle Scholar
13.Matsuda, A., Sasaki, T.Photocatalytic micropatterning of transparent ethylsisesquioxane-titania hybrid films. Chem. Mater. 14, 2693 (2002)CrossRefGoogle Scholar
14.Monkhorst, H.J., Pack, J.D.Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188 (1976)CrossRefGoogle Scholar
15.Oertzen, G.U., Gerson, A.R.The effects of O deficiency on the electronic structure of rutile TiO2. J. Phys. Chem. Solids 68, (3)324 (2007)CrossRefGoogle Scholar
16.Sun, J., Wang, H-T., He, J-L., Tian, Y-J.Ab initio investigations of optical properties of the high-pressure phases of ZnO. Phys. Rev. B 71, (12)125 (2005)CrossRefGoogle Scholar
17.Zhang, X-W., Hu, L-J., Huang, Y-D., Sun, D-Z.Three-dimensional configurations of organic/inorganic hybrid nanostructural blocks (I) A quantum mechanical investigation for ladder-like structure of vinylsisesquioxane. Sci. China, Ser. B Chem. 47, 388 (2004)Google Scholar
18.Cygan, R.T., Liang, J.J., Kalinichev, A.G.Molecular models of hydroxides, oxyhydroxide, and clay phases and the development of a general force field. J. Phys. Chem. B 108, 1255 (2004)CrossRefGoogle Scholar
19.Bradley, C.R., Cracknell, A.P.The Mathematical Theory of Symmetry in Solids (Clarendon Press, Oxford 1972)Google Scholar
20.Bhardwaj, A., Muthu, S.K.A model with a singular electronic density of states and some properties of high-temperature superconductors. Phys. Status Solidi B 218, (2)503 (2000)3.0.CO;2-5>CrossRefGoogle Scholar
21.Warren, M.C., Ackland, G.J., Karki, B.B., Clark, S.J.Phase transitions in silicate perovskites from first principles. Mineral. Mag. 62, 585 (1998)CrossRefGoogle Scholar
22.Hernandez-Paredes, J., Glossman-Mitnik, D., Esparza-Ponce, H.E., Alvarez-Ramos, M.E., Duarte-Moller, A.Band structure, optical properties and infrared spectrum of glycine-sodium nitrate crystal. J. Mol. Struct. 875, (1–3)295 (2008)CrossRefGoogle Scholar
23.Chen, X-D., Wang, D., Li, X-D., Liu, Y., Hu, L-J.POSS/TiO2 nanohybrids as sun protection factors for skin changes caused by ultraviolet A radiation. Mater. Sci. Forum 610–613, 1039 (2009)CrossRefGoogle Scholar
24.Hu, L-J., Zhang, X-W., Huang, Y-D.Nano-scratch profiles of hybrid films based on (3-glycidoxypropyl) trimethoxysilane and modified with tetraethoxysilanes. Plast. Rubber Compos. 33, (9)457 (2004)CrossRefGoogle Scholar
25.Hu, L-J., Wang, D., Lu, Z-S., Song, Y-W., Song, C-M.Influence of titanium tetrabutoxide on nanoindentation and nanoscratch profiles of silsesquioxane films. Macromol. Symp. 267, 85 (2008)CrossRefGoogle Scholar