Oxygen vacancy in GdOF: generation of reactive oxygen species under dark

Mondal, Tanmoy; Haldar, Nibedita; Mondal, Dheeraj; Ghosh, Chandan Kumar

doi:10.1007/s00339-022-05825-1

Cited by 4 publications

(1 citation statement)

References 41 publications

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“…These parameters have been estimated using the plane wave (PW) code of the VASP simulation package. As a representative of the atomic core region and exchange-correlation energy function, pseudopotential and Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) have been used in the simulation respectively [23]. To encode the information about the Brillouin zone in the process, the Monk Horst Pack mesh has been taken as 4 × 4×4 with plane wave energy cut off of 650 Ry.…”

Section: Synthesis Of Eamo and Gamomentioning

confidence: 99%

Rare earth ion-infused α-MnO2 nano-rods for excellent EMI shielding efficiency: Experimental and theoretical insights

Mondal,

Bhattacharya,

Mondal

et al. 2024

Preprint

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In this communication, for the first time rare earth elements like Gd3+ and Er3+ ions are impregnated into the α-MnO2 tunneled structure involving the modified chemical synthesis route followed by hydrothermal technique. X-ray diffraction patterns and Raman spectroscopy confirm the proper phase formation without any impurity. A theoretical in-depth DFT study for the electronic bands and variation of density of states with the infusion of rare earth elements into the host structure confirms the experimental findings and depicts the suitability of the material for the EMI shielding application. The novel synthesis technique helps to achieve uniform nanorod formation with a high specific surface area. Doping-induced defects, high surface-to-volume ratio, Maxwell-Wagner–Siller interfacial polarization, etc lead to achieving high dielectric response with moderate tangent loss at a frequency range of 40Hz to 1MHz. Temperature-dependent dielectric behavior indicates the paramagnetic to ferromagnetic transition at 120 and 70 for the Gd- and Er-doped α-MnO2 samples respectively. The electromagnetic interference (EMI) shielding effectiveness (SE) has achieved a maximum of − 43 dB at 15.3 GHz and −46 dB at 15.3 GHz for Gd- and Er-doped α-MnO2 thin layer of thickness ∼600 μm respectively. Higher dipolar polarization, loss tangent, conductive pathways, and defects inside the crystal lead to attaining a high EMI shielding efficiency. This result reveals >99.999% EMI SE against the hazardous electromagnetic waves in the microwave/GHz frequency region.

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Section: Synthesis Of Eamo and Gamomentioning

confidence: 99%