Synthesis of self-assembled micro/nano structured manganese carbonate for high performance, long lifespan asymmetric supercapacitors and investigation of atomic-level … M Karuppaiah, R Akilan, P Sakthivel, S Asaithambi, R Shankar, ... Journal of Energy Storage 27, 101138, 2020 | 61 | 2020 |
Modeling of 2-D hydrogen-edge capped defected & boron-doped defected graphene sheets for the adsorption of CO2, SO2 towards energy harvesting applications R Akilan, M Malarkodi, S Vijayakumar, S Gopalakrishnan, R Shankar Applied Surface Science 463, 596-609, 2019 | 36 | 2019 |
Exploring the synergistic effect of Ni x Sn 2x S 4x thiospinel with MWCNTs for enhanced performance in dye-sensitized solar cells, the hydrogen evolution reaction, and … T Saravanakumar, T Selvaraju, KB Bhojanaa, M Ramesh, A Pandikumar, ... Dalton Transactions 49 (16), 5336-5351, 2020 | 29 | 2020 |
Enhanced thermoelectric performance of band structure engineered GeSe 1− x Te x alloys D Sidharth, ASA Nedunchezhian, R Akilan, A Srivastava, B Srinivasan, ... Sustainable Energy & Fuels 5 (6), 1734-1746, 2021 | 24 | 2021 |
Reconnoitring the nature of interaction and effect of electric field on Pd/Pt/Ni decorated 5-8-5/55–77 defected graphene sheet for hydrogen storage R Akilan, S Vinnarasi, S Mohanapriya, R Shankar International Journal of Hydrogen Energy 45 (1), 744-763, 2020 | 22 | 2020 |
Exploring the nature of interaction and stability between DNA/RNA base pairs and defective & defect-dopant graphene sheets. A possible insights on DNA/RNA sequencing V Saravanan, A Rajamani, S Vasudevan, S Ramasamy International journal of biological macromolecules 146, 387-404, 2020 | 16 | 2020 |
Modeling of Si–B–N Sheets and Derivatives as a Potential Sorbent Material for the Adsorption of Li+ Ion and CO2 Gas Molecule A Rajamani, V Saravanan, S Vijayakumar, R Shankar ACS omega 4 (9), 13808-13823, 2019 | 15 | 2019 |
Reinforcing the tetracene-based two-dimensional C48H16 sheet by decorating the Li, Na, and K atoms for hydrogen storage and environmental application–A DFT study M Subramani, A Rajamani, V Subramaniam, MR Hatshan, S Gopi, ... Environmental Research 204, 112114, 2022 | 13 | 2022 |
Adsorption of H2 and CO2 gas molecules on Li/Na decorated Si2BN nano-sheet for energy harvesting applications–A density functional study R Akilan, D Ravichandran, S Vinnarasi, R Shankar Materials Letters 279, 128487, 2020 | 13 | 2020 |
Exploring two-dimensional graphene and boron-nitride as potential nanocarriers for cytarabine and clofarabine anti-cancer drugs V Saravanan, A Rajamani, M Subramani, S Ramasamy Computational Biology and Chemistry 88, 107334, 2020 | 12 | 2020 |
Tuning the reactivity of tri-s-triazine, trinitro-tri-s-triazine and ternary tri-s-triazine graphitic C3N4 quantum dots through H-functionalized and B-doped complexes: A … D Ravichandran, R Akilan, S Vinnarasi, R Shankar, S Manickam Chemosphere 272, 129901, 2021 | 8 | 2021 |
Adsorption of H2 molecules on B/N-doped defected graphene sheets—a DFT study R Akilan, S Vinnarasi, S Mohanapriya, R Shankar Structural Chemistry 31, 2413-2434, 2020 | 7 | 2020 |
Interaction of (G4)2 and (X4)2 DNA quadruplexes with Cu+, Ag+ and Au+ metal cations: a quantum chemical calculation on structural, energetic and electronic … V Saravanan, A Rajamani, V Subramaniam, S Ramasamy Structural Chemistry 31 (1), 465-484, 2020 | 5 | 2020 |
Epigenetically modified nucleobases (5hmc, 5fc, and 5caC) interaction with boron and nitrogen doped porous graphene (B/N-pGr) as promising materials for biosensing application … V Saravanan, A Rajamani, S Ramasamy, A Baazeem, IR Upadhyaya Environmental Research 197, 111133, 2021 | 4 | 2021 |
Kinetics and degradation mechanism of atmospheric isoprene (2‐methyl‐1, 3‐butadiene (C5H8)) with chlorine radical and its derivatives—A theoretical study M Subramani, A Rajamani, R Shankar International Journal of Quantum Chemistry 121 (7), e26573, 2021 | 4 | 2021 |
Mitigation of indoor pollutants using 2D materials for enrichment of indoor environmental quality and human health: a review M Subramani, A Muralidharan, D Arumugam, A Rajamani, S Ramasamy Current Opinion in Environmental Science & Health 33, 100460, 2023 | 2 | 2023 |
Theoretical study of primary ozonolysis in oleic acid aerosol phase D Duflot, A Rajamani, R Abouhaidar, C Toubin, R Antoine | | 2023 |
Kinetics study of heterogeneous reactions of ozone and sulfur dioxide on oleic acid clusters using a QM/MM approach A Rajamani, A Roose, D Duflot, C Toubin Workshop Molecular Understanding of Atmospheric Aerosols, 2022 | | 2022 |