| 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 | 12 | 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 | 9 | 2023 |
| 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 | 4 | 2024 |
| 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 | 4 | 2019 |
| Advances in the Parameter Space Concept towards Picometer Precise Crystal Structure Refinement—A Resolution Study M Zschornak, C Wagner, M Nentwich, M Vallinayagam, KF Fischer Saarländische Universitäts-und Landesbibliothek, 2024 | 1 | 2024 |
| Linearization Routines for the Parameter Space Concept to determine Crystal Structures without Fourier Inversion (Centrosymmetric cases in two and three-dimensional parameter … M Vallinayagam, M Nentwich, DC Meyer, M Zschornak arXiv preprint arXiv:2411.08845, 2024 | | 2024 |
| Band alignment in CdS–α-Te van der Waals heterostructures for photocatalytic applications: influence of biaxial strain and electric field G Tejaswini, AE Sudheer, M Vallinayagam, M Posselt, M Zschornak, ... Physical Chemistry Chemical Physics 26 (47), 29339-29350, 2024 | | 2024 |
| A first principles study on the stability and electronic and optical properties of 2D SbXY (X= Se/Te and Y= I/Br) Janus layers AE Sudheer, A Kumar, G Tejaswini, M Vallinayagam, M Posselt, ... Physical Chemistry Chemical Physics 26 (47), 29371-29383, 2024 | | 2024 |
| Advances in the Parameter Space Concept for Crystal Structure Determination Linearization of intensity isosurfaces M Vallinayagam, M Nentwich, DC Meyer, K Fischer, M Zschornak ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 79, C730-C730, 2023 | | 2023 |
| Resonant Contrast and Sub-pm Resolution by means of the Parameter Space Concept M Zschornak, M Nentwich, M Vallinayagam, K Fischer ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 79, C732-C732, 2023 | | 2023 |
| Influence of Si on hydrogen adsorption in SMoSe Janus host layer M Vallinayagam, K Jeyakumar, Z Mattias, P Matthias ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 78, E505-E505, 2022 | | 2022 |
| First-principles studies on oxide nanoclusters in bcc Fe M Vallinayagam | | 2020 |
Jürgen FassbenderHZDROverená e-mailová adresa na: hzdr.de