Iyyappa Rajan P, Judith Vijaya J, Jesudoss S K, Kaviyarasu K, Lee Seung-Cheol, John Kennedy L, Jothiramalingam R, Al-Lohedan Hamad A, Abdullah Mahmood M S
Indo-Korea Science and Technology Center (IKST), Korea Institute of Science and Technology (KIST), Bangalore, India.
Catalysis and Nanomaterials Research Laboratory, Department of Chemistry, Loyola College (Autonomous), Chennai 600 034, India.
R Soc Open Sci. 2018 Mar 14;5(3):171430. doi: 10.1098/rsos.171430. eCollection 2018 Mar.
The theme of this work is to highlight the significance of green plant extracts in the synthesis of nanostructures. In asserting this statement, herein, we report our obtained results on the synthesis of hexagonal CdSe nanorods preferably oriented along (0002) plane through henna leaf extract-mediated reaction along with a discussion about the structural, morphological and optical properties of the synthesized nanorods. The possible mechanism for the synthesis of CdSe nanorods was explored. The formation of nanorods along (0002) plane was confirmed by the relatively high intensity of the (0002) peak in X-ray diffraction pattern. To account for the experimentally realistic condition, we have calculated the surface energies of hexagonal CdSe surface slabs along the low indexed (0002), [Formula: see text] and [Formula: see text] plane surfaces using density functional theory approach and the calculated surface energy value for (0002) surface is 802.7 mJ m, which is higher than [Formula: see text] and [Formula: see text] surfaces. On realizing the calculated surface energies of these slabs, we determined that the combination of [Formula: see text] and [Formula: see text] planes with lower surface energies will lead to the formation of CdSe nanorods growth along (0002) orientation. Finally, we argue that the design of new greener route for the synthesis of novel functional nanomaterials is highly desired.
这项工作的主题是突出绿色植物提取物在纳米结构合成中的重要性。在此声明这一点时，我们报告了通过指甲花叶提取物介导的反应合成沿（0002）面择优取向的六方CdSe纳米棒所获得的结果，并讨论了合成纳米棒的结构、形态和光学性质。探索了合成CdSe纳米棒的可能机制。X射线衍射图谱中（0002）峰的相对高强度证实了沿（0002）面形成纳米棒。为了考虑实验实际情况，我们使用密度泛函理论方法计算了六方CdSe表面平板沿低指数（0002）、[公式：见正文]和[公式：见正文]平面表面的表面能，（0002）表面的计算表面能值为802.7 mJ m，高于[公式：见正文]和[公式：见正文]表面。在了解这些平板的计算表面能后，我们确定具有较低表面能的[公式：见正文]和[公式：见正文]平面的组合将导致沿（0002）取向生长CdSe纳米棒。最后，我们认为非常需要设计新的更绿色的路线来合成新型功能纳米材料。
