| Electronic structure and thermoelectric properties of Mo-based dichalcogenide monolayers locally and randomly modified by substitutional atoms M Vallinayagam, M Posselt, S Chandra RSC Adv 10 (10), 43035, 2020 | 10 | 2020 |
| Novel metalless chalcogen-based Janus layers: a density functional theory study M Vallinayagam, AE Sudheer, SA Aravindh, D Murali, N Raja, R Katta, ... The Journal of Physical Chemistry C 127 (34), 17029-17038, 2023 | 6 | 2023 |
| Interaction of O–Y and O–Y–Ti clusters embedded in bcc Fe with He, vacancies and self-interstitial atoms M Vallinayagam, M Posselt, J Faßbender Journal of Physics: Condensed Matter 31 (48), 485702, 2019 | 4 | 2019 |
| Investigation of structural models for O–Y and O–Y–Ti clusters in bcc Fe: A density functional theory study M Vallinayagam, M Posselt, J Faßbender Journal of Physics: Condensed Matter 31 (9), 095701, 2019 | 3 | 2019 |
| Metalloid-doping in SMoSe Janus layers: first-principles study on efficient catalysts for the hydrogen evolution reaction M Vallinayagam, J Karthikeyan, M Posselt, D Murali, M Zschornak Journal of Materials Chemistry A 12 (13), 7742-7753, 2024 | 1 | 2024 |
| MS14-2-4 Influence of Si on hydrogen adsorption in SMoSe Janus host layer# MS14-2-4 M Vallinayagam, K Jeyakumar, Z Mattias, P Matthias, ... Foundations of Crystallography 78, e505, 2022 | | 2022 |
| First-principles studies on oxide nanoclusters in bcc Fe M Vallinayagam | | 2020 |
