Accelerating the theoretical study of Li-polysulfide adsorption on single-atom catalysts via machine learning approaches
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The current restrictions on the registration of combustion engines in different countries and the harmful impacts of fossil fuels on the environment and human health have motivated decision-makers to use batteries and/or fuel cells as alternatives for comb ...
Predictive health assessment is of vital importance for smarter battery management to ensure optimal and safe operations and thus make the most use of battery life. This paper proposes a general framework for battery aging prognostics in order to provide t ...
The solid electrolyte interphase (SEI) is a key component of a lithium-ion battery forming during the first few dischage/charge cycles at the interface between the anode and the electrolyte. The SEI passivates the anode-electrolyte interface by inhibiting ...
Research and development of flexible lithium-ion batteries (LIBs) with high energy density and long cycle life for portable and wearable electronic devices has been a cutting-edge effort in recent years. In this paper, a novel flexible self-standing anode ...
molybdenum atomic-doping on bio-waste derived nitrogen-doped conductive carbon electrocatalyst was synthesized and investigated for the dinitrogen reduction to ammonia in alkaline media. The assessment of the catalytic activity was found to be non-trivial ...
Sodium-nickel-chloride batteries have a proven track record for backup power applications, but also show great potential for large-scale stationary electricity storage currently dominated by lithium-ion batteries. While lithium-ion cells rely on critical c ...
Titanium dioxide of bronze phase (TiO2(B)) has attracted considerable attention as a promising alternative lithium/sodium-ion battery anode due to its excellent operation safety, good reversible capacity, and environmental friendliness. However, several in ...
Li-rich oxide cathodes are drawing increasing attention as next-generation cathode materials for the development of high-energy-density Li-ion batteries due to their strikingly high capacities. However, transition-metal migration, irreversible structural p ...
AMER CHEMICAL SOC2022
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We highlight fast Li-ion diffusion in hypothetical tetragonal Li10GeP2O12 (LGPO), as a counterpart to the well-known phases of orthorhombic (LISICON) LGPO, thio-LISICON, and tetragonal Li10GeP2S12 (LGPS). We use extended Car-Parrinello molecular dynamics i ...
AMER PHYSICAL SOC2021
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Today's great challenges of energy and informational technologies are addressed with a singular compound, Li-and Na-doped few-layer graphene. All that is impossible for graphite (homogeneous and high-level Na doping) and unstable for single-layer graphene ...