Integration of PDAAQ and non-stoichiometric MgO as host cathode materials for lithium-sulfur batteries with superior cycle stability: density functional theory …

MS Kiai, M Mansoor, S Ponnada, DB Gorle… - Energy & …, 2022 - ACS Publications
Energy & Fuels, 2022ACS Publications
A lithium-sulfur battery with a low cost, a long cycle life, safety, and high gravimetric energy
density may be a viable option for overcoming the charge-storage limitations of lithium-ion
batteries. This research describes how to increase the cycle life and performance of lithium-
sulfur batteries by using highly conductive and lightweight cathode materials composed of
poly (1, 5-diaminoanthraquinone)(PDAAQ) and non-stoichiometric magnesium oxide
nanoparticles (MgO). The cell with the MgO/PDAAQ/S cathode has a discharge capacity of …
A lithium-sulfur battery with a low cost, a long cycle life, safety, and high gravimetric energy density may be a viable option for overcoming the charge-storage limitations of lithium-ion batteries. This research describes how to increase the cycle life and performance of lithium-sulfur batteries by using highly conductive and lightweight cathode materials composed of poly(1,5-diaminoanthraquinone) (PDAAQ) and non-stoichiometric magnesium oxide nanoparticles (MgO). The cell with the MgO/PDAAQ/S cathode has a discharge capacity of 1239 mA h g–1 after 200 cycles. The discharge capacity is maintained at 1020 mA h g–1 after 500 cycles. When considering non-stoichiometric MgO, which is oxygen-rich, the adsorption energy of Li becomes highly negative (−4.648 eV/Li atom), making the structure active for adsorption of lithium polysulfide chains. The novel combination of a MgO/PDAAQ/S cathode has a significant potential for the fabrication of high gravimetric energy density Li–S batteries (570 W h kg–1 per cell) over 200 cycles.
ACS Publications
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