Publication / CV

Parida, S. R., Sahoo, Rakesh K., Jaiswal, A., Kour, P., & Sahu, S. (2024-Revision Submitted). Reversible hydrogen storage in sc-functionalized [6]cycloparaphenylene: Computational insights. Energy Storage.

Jaiswal, A., Sahoo, Rakesh K., & Sahu, S. (Under Revision,2024). Feasibility of Li decorated Si6C14 and Si8C12 nanocages as promising hydrogen storage media: A computational study. Journal of Energy Storage, xxx–xxx.

Sen, D., Sahoo, Rakesh K*., Jaiswal, P., Ankita Kour, Mohanty, S., & Sahu, S. (2024). Reversible hydrogen storage in Li-functionalized [1,1,1,1]paracyclophane: A computational insight. International Journal of Hydrogen Energy, 53, 308–317.

Dash, M. K., Sahoo, Rakesh K., & Roymahapatra, G. (2024-Under Review). Hydrogen storage on Li decorated triazole and tetrazole: A DFT study. International Journal of Hydrogen Energy.

Ray, S. S., Sahoo, Rakesh K., & Sahu, S. (2023). Reversible hydrogen storage in Ti decorated small boron clusters: Insights from molecular dynamics simulations. 181, 111496. Journal of Physics and Chemistry of Solids. doi.org/10.1016/j.jpcs.2023.111496 

Sahoo, Rakesh K., & Sahu, S. (2023) Chemisorption and physisorption of hydrogen molecules on Ti functionalized [2,2,2]paracyclophane: Insights from density functional theory simulations. 66, 106951. Journal of Energy Storage. doi:10.1016/j.est.2023.106951

Sahoo, Rakesh K., & Sahu, S. (2023). Hydrogen storage in Li functionalized [2,2,2]paracyclophane at cryogenic to room temperatures: A computational quest. e747. Energy Storage. doi.org/10.1002/est2.474

Ray, S. S., Sahoo, Rakesh K., & Sahu, S. (2022). Reversible hydrogen storage capacity of vanadium decorated small boron clusters (BnV2, n= 6-10): A dispersion corrected density functional study. Computational and Theoretical Chemistry, 1217, 113899. doi.org/10.1016/j.comptc.2022.113899

Jaiswal, A., Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2022). Alkali metals decorated silicon clusters (SinMn, n = 6, 10; M = Li, Na) as potential hydrogen storage materials: A DFT study. International Journal of Hydrogen Energy, 47(3), 1775–1789. doi.org/10.1016/j.ijhydene.2021.10.228 

Sahoo Rakesh K., Kour, P., & Sahu, S. (2022). Reversible hydrogen storage capacity of Sc and Y functionalized [1,1]paracyclophane: Insights from density functional study. International Journal of Hydrogen Energy, 47(69), 29881–29895. doi.org/10.1016/j.ijhydene.2022.06.294 

Sahoo, Rakesh K., & Sahu, S. (2022). Reversible hydrogen storage capacity of Li and Sc doped novel C8N8 cage: Insights from density functional theory. International Journal of Energy Research. 46(15), 22585-22600. doi.org/10.1002/er.8562 

Sahoo, Rakesh K., Chakraborty, B., & Sahu, S. (2021). Reversible hydrogen storage on alkali metal (Li and Na) decorated C20 fullerene: A density functional study. International Journal of Hydrogen Energy, 46(80), 40251–40261. doi.org/10.1016/j.ijhydene.2021.09.219 

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2021). A first principle study of hydrogen storage in titanium-doped small carbon clusters (C2nTin, n= 2–6). Structural Chemistry, 32(4), 1673–1683. doi.org/10.1007/s11224-020-01692-9.

Sahoo, Rakesh K., Barik, S. B., & Sahu, S. (2022). Hydrogen storage capacity of vanadium functionalized [2, 2] paracyclophane: A density functional theory study. Materials Today: Proceedings (Vol. 66, pp. 3360–3363). doi.org/10.1016/j.matpr.2022.07.125 .

Sahoo, Rakesh K., Khatua, R., & Sahu, S. (2022). Theoretical study of linear and non-linear optical properties of small CaCn (n= 2–7) clusters.  Materials Today: Proceedings (Vol. 66, pp. 3397–3400). doi.org/10.1016/j.matpr.2022.07.304 

Ray, S. S., Sahoo, Rakesh K., & Sahu, S. (2020). A theoretical study of non-linear optical responses and photo-absorption in carbon-doped boron cluster. In AIP conference proceedings (Vol. 2269, p. 030111). doi.org/10.1063/5.0019812 .

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2020). A density functional study of hydrogen storage in li decorated c20 fullerene. In AIP conference proceedings (Vol. 2269, p. 030110).  doi.org/10.1063/5.0019528 .

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2019b). Optical absorption in al2n2 cluster: A time-dependent density functional study. In AIP conference proceedings (Vol. 2115, p. 030583). doi.org/10.1063/1.5113422 

Sahoo, Rakesh K., Chakraborty, B., & Sahu, S. (2021a). Reversible hydrogen storage capacity of alkali metal (Li and Na) decorated C20 fullerene: A density functional study. (Oral Presentation). CMDAYS, 2021, Central University of Jharkhand, Ranchi, India.

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2021b). A first principle study of hydrogen storage in titanium-doped small carbon clusters (c2ntin, n= 2–6). (Oral Presentation). ICSEM, 2021, Sharda University, India.

Sahoo, Rakesh K. (2020). Five days of school on fundal mental molecular dynamics simulations. FunMolSim, 2020, IIT Kanpur, India.

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2019a). A density functional study of hydrogen storage in Li decorated c20 fullerene. (Poster Presentation). ICMM, 2019, GCET, Medchal, Hyderabad, India.

Sahoo, Rakesh K., Chakraborty, B., & Sahu, S. (2018). Reversible hydrogen storage capacity of alkali metal (Li and Na) decorated C20 fullerene: A density functional study. (Oral Presentation). IWAM, 2022, Ras Al Khaimah Center for Advanced Materials. UAE.

Sahoo, Rakesh K., Ray, S. S., & Sahu, S. (2018). Optical absorption in al2n2 cluster: A time-dependent density functional study. DAE SSPS, 2018, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, India.

Sahoo, Rakesh K. (14-15 Feb.-2015). "Ballistics: A multidisciplinary physical science" (Poster presentation). BMPS-2015, Odisha Physical Society, FM University, India.

Sahoo, Rakesh K., (8 to 24 October 2013) Refresher Course – Experimental Physics (LII) Indian Academy of Sciences School of Innovation & Community Development Shri Mata Vaishno Devi University, Katra, JK