| First-Principles Density Functional Theory Calculations on the Potential of Sc2CO2 MXene Nanosheets as a Dual-Mode Sensor for Detection of Volatile Organic … RP Reji, SKC Balaji, Y Sivalingam, Y Kawazoe, S Velappa Jayaraman ACS Applied Nano Materials 6 (7), 5345-5356, 2023 | 42 | 2023 |
| "Tuning the π-conjugation of 2-Thiohydantions towards a rigorously defined detection of volatile organic compounds (VOCs) by surface photovoltage" P GAWAS, A Bora, R P. Reji, SK C.B., ... ACS Applied Electronic Materials, 2022 | 12 | 2022 |
| Carbon and boron nitride quantum dots as optical sensor probes for selective detection of toxic metals in drinking water: A quantum chemical prediction through structural and … Chedharla Balaji Sarath Kumar, Rence Painappallil Reji, Yuvaraj Sivalingam ... RSC Advances 14 (38), 28182-28200, 2024 | 4 | 2024 |
| Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications SK Syamlal, CBS Kumar, RP Reji, PS Roshal, Y Sivalingam, VJ Surya Chemosphere 307, 135947, 2022 | 3 | 2022 |
| Hydration of amino acids: An investigation using density functional theory CBS Kumar, RP Reji, M Gobinath, Y Sivalingam, VJ Surya IOP Conference Series: Materials Science and Engineering 1219 (1), 012006, 2022 | 2 | 2022 |
| Compensated Ferrimagnetism and Half‐Metallic Behavior in Potassium (K) Intercalated Naphthalene A Marik, CB Sarath Kumar, S Mohakud physica status solidi (b) 257 (12), 2000398, 2020 | 2 | 2020 |
| Energetics and Dynamics of Metal-Ion Coordination with Ionic Liquid Electrolytes: A Combined DFT and AIMD Investigation for Rechargeable Batteries S Jayan, SK Chedharla Balaji, Y Sivalingam, Y Kawazoe, ... The Journal of Physical Chemistry C 128 (49), 20751-20764, 2024 | 1 | 2024 |
| Triphenylamine-porphyrin conjugates as antenna modular systems towards the detection of 1-hexanol through surface photovoltage under UV and visible light illumination using the … P Palanisamy, M Anandan, S Sasi, A Bora, RP Reji, SKC Balaji, ... Sustainable Materials and Technologies 43, e01239, 2025 | | 2025 |
| Interaction of toxic metals with penta variant functional groups decorated carbon quantum dots: An in-silico investigation using density functional theory calculations towards … CBS Kumar, S Jayan, RP Reji, Y Sivalingam, Y Kawazoe, VJ Surya Journal of Environmental Chemical Engineering 13 (1), 115307, 2025 | | 2025 |
| Adsorption characteristics of pristine and defective SWCNTs towards F and Cl species: A density functional theory investigation towards water quality monitoring applications M Elakia, CB Sarath Kumar, RP Reji, Y Sivalingam, VJ Surya International Journal of Computational Materials Science and Engineering …, 2024 | | 2024 |
| Conversion of Carbon Dioxide to Methanol in Size Selected Copper Cluster on Graphene Substrate-a Computational Study I KOMBIAH, MJ Swamynathan, CB Kumar, RP Reji, I Lakshmi, Y Kawazoe, ... Rence Painappallil and Lakshmi, I. and Kawazoe, Yoshiuki and Surya, Velappa …, 0 | | |
Velappa Jayaraman SuryaNovel Advanced and Applied Materials Laboratory, SRM ISTsrmist.edu.in의 이메일 확인됨