| Robustness in half-metallicity, thermophysical and structural properties of Co2YAl (Y = Pd, Ag) Heuslers: a first-principles perspective A Kumar, S Singh, SA Sofi, T Chandel, N Thakur Molecular Physics 120 (18), e2120839, 2022 | 20 | 2022 |
| First-principles calculations to investigate structural stability, half-metallic behavior, thermophysical and thermoelectric properties of Co2YAl (Y= Mo, Tc) full Heusler compounds A Kumar, SA Sofi, T Chandel, N Thakur Computational and Theoretical Chemistry 1219, 113943, 2023 | 19 | 2023 |
| Robust stability, half metallic Ferromagnetism and structural properties of Co2RhSi, and Co2RuSi Heusler compounds-A first principles approach A Kumar, T Chandel, N Thakur Materials Today: Proceedings 66, 3292-3297, 2022 | 19 | 2022 |
| Predicting the magnetism, structural, thermodynamic and electronic properties of new co-based Heuslers: first principle perspective A Kumar, T Chandel, Diwaker, N Thakur Philosophical Magazine 100 (21), 2721-2734, 2020 | 18 | 2020 |
| Tuning of electronic energy levels of NH3 passivated ZnO nanoclusters: A first principle study A Kumar, N Thakur, T Chandel Computational and Theoretical Chemistry 1176, 112743, 2020 | 14 | 2020 |
| Prediction of intrinsic spin half-metallicity and ferromagnetism of Co-based full heusler alloys: hunt for spintronic applicability A Kumar, S Ahmad, T Chandel, N Thakur DAE Solid State Physics Symposium 55, 581-582, 2021 | 10 | 2021 |
| Comprehensive computational prediction of elasto-mechanical and thermoelectric properties of Co2PdAl and Co2AgAl full Heusler compounds A Kumar, SA Sofi, N Thakur Ferroelectrics 618 (3), 704-717, 2024 | 6 | 2024 |
| Photocatalytic efficiency of green synthesized ZnO nanoparticles for the degradation of methyl orange dye: A review N Thakur, N Thakur, K Kumar, V Arya, A Kumar, S Kalia Biomaterials and Polymers Horizon 1 (4), 2022 | 6 | 2022 |
| Diwaker; Thakur, N. Predicting the magnetism, structural, thermodynamic and electronic properties of new co-based Heuslers: First principle perspective A Kumar, T Chandel Philos. Mag 100, 2721-2734, 2020 | 6 | 2020 |
| Spectroscopic (FT-IR, 1H, 13C NMR and UV–vis) characterization and DFT studies of novel 8-((4-(methylthio)-2, 5-diphenylfuran-3-yl) methoxy) quinoline CSC Kumar, A Kumar, S Chandraju Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 150, 602-613, 2015 | 5 | 2015 |
| Effect of strain on mechanical stability, phonon and electronic bands of PdScSb Heusler: A perception from high-throughput DFT AS Alshomrany, Z Bayhan, I Kebaili, AF Wani, SA Sofi, FA Najar, ... Inorganic Chemistry Communications 166, 112596, 2024 | 3 | 2024 |
| A DFT study of structural and electronic properties of ZnSbTe with = (0.25,0.50,0.75) Diwaker, A Kumar International Journal of Modern Physics B 31 (1), 1650249, 2017 | 3 | 2017 |
| First-principle analysis of hydrogen storage potentials in vanadium hydride perovskites XVH3 (X= Li, K) SL Gupta, S Kumar, A Kumar, S Panwar Journal of Energy Storage 108, 114961, 2025 | 2 | 2025 |
| Spin-polarized DFT investigations of novel KVSb half-Heusler compound for spintronic and thermodynamic applications A Kumar, SL Gupta, V Kumar, S Kumar Physica B: Condensed Matter 691, 416366, 2024 | 2 | 2024 |
| Influence of Inter-Molar Concentration of Cu and Zn on the Various Properties of Sprayed Nanocrystalline Cu2ZnSnS4 Thin Films T Chandel, R Sharma, A Kumar, D Prasher Nano 18 (06), 2350041, 2023 | 1 | 2023 |
| First-principles investigation of multifaceted properties; lattice dynamic, structural stability, mechanical, electronic, magnetic and thermodynamic response of Alkali metals … SL Gupta, S Kumar, A Fayaz, A Kumar arXiv preprint arXiv:2407.02413, 2024 | | 2024 |
| Spin-polarized DFT calculations for physical properties of novel KVSb half-Heusler compound for spintronic and thermodynamic applicability A Kumar, SL Gupta, S Kumar, V Kumar arXiv preprint arXiv:2406.06656, 2024 | | 2024 |
Saurabh SinghInstitute of Science and Technology AustriaVerified email at ist.ac.at
