Rajan, P. Iyyappa Vijaya, J. Judith Jesudoss, S. K. Kaviyarasu, K. Lee, Seung-Cheol Kennedy, L. John Jothiramalingam, R. Al-Lohedan, Hamad A. Abdullah, M. Mahamad 2024-01-19T23:30:24Z 2024-01-19T23:30:24Z 2021-09-03 2018-03 2054-5703 https://pubs.kist.re.kr/handle/201004/121662 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), (1010) and (1120) plane surfaces using density functional theory approach and the calculated surface energy value for (0002) surface is 802.7 mJ m(-2), which is higher than (1120) and (1010) surfaces. On realizing the calculated surface energies of these slabs, we determined that the combination of (1120) and (1010) 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. English ROYAL SOC NANOPARTICLES DEPOSITION FILMS Investigation on preferably oriented abnormal growth of CdSe nanorods along (0002) plane synthesized by henna leaf extract-mediated green synthesis Article 10.1098/rsos.171430 1 ROYAL SOCIETY OPEN SCIENCE, v.5, no.3 ROYAL SOCIETY OPEN SCIENCE 5 3 scie scopus 000428874600016 2-s2.0-85044004578 Multidisciplinary Sciences Science & Technology - Other Topics Article NANOPARTICLES DEPOSITION FILMS CdSe nanorods green extract surface energy band gap