@article {47340,
	title = {Architecture of NaFe(MoO4)2 as a novel anode material for rechargeable lithium and sodium ion batteries},
	journal = {Applied Surface Science},
	volume = {559},
	year = {2021},
	month = {SEP },
	pages = {149903},
	type = {Article},
	abstract = {<p>In recent decades, particular focus has been given to enhance the capacity of LIBs and SIBs either by developing new materials or by modifying existing materials. Hence, we have demonstrated a new anode material i.e. sodium iron molybdate [NaFe(MoO4)2] for both LIBs and SIBs. NaFe(MoO4)2 has been successfully synthesized by solid-state combustion technique and tested as a promising new anode material for both LIBs and SIBs. A detailed analysis of the crystal structure has been performed using DFT calculations. NaFe(MoO4)2 crystallizes in the monoclinic phase with the space group C2/c (\#15). FESEM also shows highly crystalline monoclinic shaped crystals of micron size. When evaluated as an anode material for LIBs, NaFe(MoO4)2 electrode exhibited electrochemical capacity of 920 mAhg- 1 in the second cycle at the current density of 50 mAg-1. Though capacity decreases on further cycling, the coulombic efficiency was maintained at 99\% for 50 cycles. Significantly, a high discharge capacity of 100 mAhg- 1 was maintained at a very high rate of 1 Ag-1. On the other hand, we have also tested NaFe(MoO4)2 for SIBs which shows excellent reversible specific capacity i.e. 100 mAhg- 1 at the current density of 100 mAg-1 even after 500 cycles. This novel system has shown good stability for LIBs and SIBs which is hitherto unattempted.</p>},
	keywords = {Electrochemical study, lithium-ion battery, Morphology, NaFe(MoO4)2, Sodium-ion battery},
	issn = {0169-4332},
	doi = {10.1016/j.apsusc.2021.149903},
	author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Praveen, C. S. and Dwivedi, Pravin Kumari and Karbhal, Indrapal and Gosavi, Suresh W. and Shelke, V, Manjusha and Kale, Bharat B.}
}
@article {47738,
	title = {Engineering microstructure of LiFe(MoO4)(2) as an advanced anode material for rechargeable lithium-ion battery},
	journal = {Journal of Materials Science-Materials In Electronics},
	volume = {32},
	year = {2021},
	month = {OCT},
	pages = {24273-24284},
	type = {Article},
	abstract = {Graphite is considered as an ideal anode material for lithium-ion battery (LIB) due to its high stability, good conductivity and wide source of availability. However, the low energy density and theoretical capacity of graphite cannot meet the needs of high performance anode materials. To circumvent this issue, alternative materials have been sought for many years now. Herein, we report the synthesis of highly crystalline lithium iron molybdate LiFe(MoO4)(2) by combustion method and evaluated its performance as an anode material for lithium-ion batteries. Triclinic LiFe(MoO4)(2) crystals having particle size 2-5 mu m with good crystallinity were obtained. The material shows long cycle life and high rate performance than commercial graphite and exhibits first reversible discharge capacity of 931.6 mAh/g at a current density of 100 mA/g which is three times higher than commercial graphite. The high specific capacity together with the outstanding rate and cycle performance makes LiFe(MoO4)(2) a promising anode material for LIB. A detailed analysis on the crystal structure and electronic properties of LiFe(MoO4)(2) is presented based on DFT studies to complement the experimental observations.},
	issn = {0957-4522},
	doi = {10.1007/s10854-021-06892-5},
	author = {Tamboli, Asiya M. and Tamboli, Mohaseen S. and Dwivedi, Pravin Kumari and Praveen, C. S. and Karbhal, Indrapal and Shelke, V, Manjusha and Kim, Bomyung and Park, Chinho and Kale, Bharat B.}
}
@article {47072,
	title = {Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight},
	journal = {RSC Advances},
	volume = {11},
	year = {2021},
	month = {FEB },
	pages = {5521-5528},
	type = {Article},
	abstract = {<p>The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior. However, its wide bandgap (\&gt;3 eV) is not suitable for the solar spectrum and hence reduces its photoelectronic efficiency for device applications. Here we report a significant bandgap reduction from 2.85 eV to 0.65 eV via substitutional doping and its effects on the optoelectronic and opto-thermoelectric properties from a first-principles study. The results predict that Sn/Pb and Ga and Cu co-doping will enhance the density of states significantly near the valence band maximum (VBM) and thus reduce the bandgap via shifting the VBM upward, while alkali metals (K/Rb) slightly increase the bandgap. A strong absorption peak near the Shockley-Queisser limit is observed in the co-doped case, while in the Sn/Pb-doped case, we notice a peak in the middle of the visible region of the solar spectrum. The nature of the bandgap is indirect with Cu-Ga/Pb/Sn doping, and a significant reduction in the bandgap, from 2.85 eV to 0.65 eV, is observed in the case of Ga-Cu co-doping. We observe a significant increase in the power factor (PF) (2.03 mW m(-1) K-2) for the n-type carrier after Pb-doping, which is similar to 3.5 times higher than in the pristine case (0.6 mW m (-1) K-2) at 500 K.</p>
},
	doi = {10.1039/d0ra01840f},
	author = {Bhamu, K. C. and Haque, Enamul and Praveen, C. S. and Kumar, Nandha and Yumnam, G. and Hossain, Md. Anwar and Sharma, Gautam}
}
