| Ca2P2O7温致相变的拉曼光谱研究 |
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| 引用本文： | 汪磊,尤静林,王媛媛,马兰,赵婷.Ca2P2O7温致相变的拉曼光谱研究[J].光散射学报,2012,24(3):260-265. |
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| 作者姓名： | 汪磊 尤静林 王媛媛 马兰 赵婷 |
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| 作者单位： | 1. 上海大学材料科学与材料工程学院,上海,200072
2. 上海大学材料科学与材料工程学院,上海200072;法国国家科学研究中心高温和辐射研究所45071和奥尔良大学45067,奥尔良,法国 |
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| 基金项目： | 国家自然科学基金重点项目(50932005);面上项目(20973107,40973046);法国LE STUDIUM机构资助 |
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| 摘 要： | 本文采用高温原位拉曼光谱研究了冷却方式对焦磷酸钙相变及其晶型制备的影响, 并结合第一性原理计算, 解析了α与β焦磷酸钙晶体的拉曼振动归属。研究表明, 从相变点之上快冷至室温可得到α焦磷酸钙; 当焦磷酸钙在1373 K保温时发生相变, 并进一步缓冷得到β焦磷酸钙; 而当在1373 K保温快冷可得到α与β的混合相, 混合相中各组分含量由相变点保温时间和冷却速率有关。高温原位拉曼光谱能原位观察无机材料制备过程中相的变化。
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| 关 键 词： | Ca2P2O7 拉曼光谱 相变 第一性原理计算 |
| 收稿时间： | 2011/6/30 |
Temperature Dependent Raman Spectra and PhaseTransformation Study of Ca2P2O7 |
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| Wang Lei
,
You Jing-lin
,
Wang Yuan-yuan
,
Ma Lan
,
Zhao Ting.Temperature Dependent Raman Spectra and PhaseTransformation Study of Ca2P2O7[J].Chinese Journal of Light Scattering,2012,24(3):260-265. |
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| Authors: | Wang Lei You Jing-lin Wang Yuan-yuan Ma Lan Zhao Ting |
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| Institution: | 1(1.School of Materials Science and Engineering,Shanghai University,Shanghai 200072,China;2.CNRS UPR3079,Conditions Extrêmes et Matériaux-Haute Température et Irradiation,CEMHTI,45071 Orléans Cedex 2,et Université d’Orléans,45067 Orléans Cedex 2,France) |
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| Abstract: | In situ high temperature Raman spectroscopic technique was applied to investigate preparation of the different phase crystals of and the transformation affected by thermal processing.Vibrational modes of both α-Ca2P2O7(high temperature phase) and β-Ca2P2O7(low temperature phase) crystals were assigned by the aid of the first principle calculation.It reveals that α-Ca2P2O7 crystal at ambient temperature can be obtained by being fast cooled from above the phase transition point while β-Ca2P2O7 crystal being prepared after being maintained at 1373 K for considerable duration time and being slowly cooled.Otherwise,a mixture of α and β-Ca2P2O7 crystals can be evolved without considerable thermal processing.It also demonstrates that in situ high temperature Raman spectroscopic technique is a unique probe to investigate the process of inorganic materials preparations. |
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| Keywords: | Ca2P2O7 Raman spectroscopy Phase transformation first principles calculation |
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