Showing results 63 to 81 of 81
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| Issue Date | Title | Author(s) |
| 27-Sep-2022 | Strong Optical Excitation and High ThermoelectricPerformance in 2D Holey-Phosphorene Monolayer | Khossoss, N.; Singh, D.; Luo, W.; Ahuja, R. |
| 25-Oct-2021 | Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure | Tsuppayakorn-aek, P.; Ektarawong, A.; Jimlim, P.; Kanchanavatee, N.; Ahuja, R.; Luo, W.; Bovornratanaraks, T. |
| 23-Jul-2022 | Structural stability and electronic properties of 2D MXene Hf3C2F2 monolayer by density functional theory approach | Jadav, R.P.; Mishra, P.; Kumavat, S.; Singh, D.; Ahuja, R.; Sonvane, Y. |
| 17-Jul-2022 | Structures, stabilities, optoelectronic and photocatalytic properties of Janus aluminium mono-chalcogenides Al(Ga, In)STe monolayers | Bahti, S.; Kibbou, M.; Khossossi, N.; Essaoudi, I.; Ainane, A.; Ahuja, R. |
| 30-Oct-2022 | Superalkali functionalized two-dimensional haeckelite monolayers: A novel hydrogen storage architecture | Jason J, I.; Pal, Y.; P., A.; Bae, H.; Lee, H.; Ahuja, R.; Hussain, T.; Panigrahi, P. |
| 27-Sep-2022 | Superconducting Gap of Pressure Stabilized (Al0.5Zr0.5)H3 from Ab Initio Anisotropic Migdal−Eliashberg Theory | Tsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, R. |
| 16-Aug-2022 | Theoretical prediction of a Bi-Doped β-Antimonene monolayer as a highly efficient photocatalyst for oxygen reduction and overall water splitting | Singh, D.; Ahuja, R. |
| 19-Jul-2022 | TM dopant-induced H-vacancy diffusion kinetics of sodium-lithium alanates: Ab initio study for hydrogen storage improvement | Pluengphon, P.; Tsuppayakorn-aek, P.; Sukmas, W.; Inceesungvorn, B.; Ahuja, R.; Bovornratanaraks, T. |
| 17-Jul-2022 | Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: a first principle analysis | Kumar, G.; Boddepalli, S.; Gutierrez, G.; Srivastava, A.; Ahuja, R. |
| 16-Jul-2022 | Transition metal substituted MoS2/WS2 van der Waals heterostructure for realization of dilute magnetic semiconductors | Kumar Mallik, S.; Kumar Jena, A.; Kapila Sharma, N.; Sahoo, S.; Charan Sahu, M.; Gupta, S.K.; Ahuja, R.; Sahoo, S. |
| 25-Nov-2022 | Tuning the electronic, magnetic, and sensing properties of a single atom embedded microporous C3N6 monolayer towards XO2 (X = C, N, S) gases | Deshpande, S.; Deshpande, M.; Ahuja, R.; Hussain, T. |
| 16-Aug-2022 | Tuning the nanoparticle interfacial properties and stability of the core-shell structure in Zn-Doped NiMoO4@AWO4 | Sharma, P.; Minakshi Sundaram, M.; Watcharatharapong, T.; Jungthawan, S.; Ahuja, R. |
| 27-Sep-2022 | Tuning the selective sensing properties of transition metal dichalcogenides (MoX2: X¼ Se, Te) toward sulfurrich gases | Panigarh, P.; Pal, Y.; Raval, D.; Gupta, S.K.; Gajjar, P.N.; Bae, H.; Lee, H.; Mark, S.; Ahuja, R.; Pandey, R.; Hussian, T. |
| 5-May-2022 | Two-Dimensional Bismuthene Nanosheets for Selective Detection of Toxic Gases | Panigrahi, P.; Panda, P.K.; Pal, Y.; Bae, H.; Lee, H.; Ahuja, R.; Hussain, T. |
| 2-Aug-2021 | Two-dimensional janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: first principles computations | Bouziani, I.; Kibbou, M.; Haman, Z.; Khossossi, N.; Essaoudi, I.; Ainane, A.; Ahuja, R. |
| 19-Dec-2021 | Two-dimensional nitrogenated holey graphene (C2N) monolayer based glucose sensor for diabetes mellitus | Panigrahi, P.; Sajjad, M.; Singh, D.; Hussain, T.; Andreas, L. J.; Ahuja, R.; Singh, N. |
| 30-Oct-2022 | Two-Dimensional Pentagraphyne as a High-Performance Anode Material for Li/Na-Ion Rechargeable Batteries | Deb, J.; Ahuja, R.; Sarkar, U. |
| 5-May-2022 | Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications | Singh, D.; Ahuja, R. |
| 11-May-2024 | Unveiling the local structure of the amorphous metal Fe(1−x)Zr x combining first‑principles‑based simulations and modelling of EXAFS spectra | Muscas, G.; Johansson, R.; George, S.; Ahlberg, M.; Arvanitis, D.; Ahuja, R.; H. Scheicher, R.; Jonsson, P.E. |
