Li1+xFePO4 (0 <= x <= 3) as anode material for lithium ion batteries: From ab initio studies
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A recent analysis of evolutionary rates in >500 globular soluble enzymes revealed pervasive conservation gradients toward catalytic residues. By looking at amino acid preference profiles rather than evolutionary rates in the same data set, we quantified th ...
In this work, we present and apply schemes to determine from first-principles calculations the relevant effective parameters used in phase field theory simulations of battery compounds. In particular, we derive that a consistent free energy density can be ...
LiBH4 has been discussed as a promising hydrogen storage material and as a solid-state electrolyte in lithiumion batteries. It contains 18.5 wt% hydrogen and undergoes a structural phase transition at 381K which is associated with a large increase in rotat ...
Due to their high theoretical capacity compared to that of state-of-the-art graphite-based electrodes, silicon electrodes have gained much research focus for use in the development of next generation lithium-ion batteries. However, a major drawback of sili ...
As part of the engineering validation and engineering design activities (EVEDA) phase for the international fusion materials irradiation facility IFMIF, major elements of a lithium target facility and the test facility were designed, prototyped and validat ...
The structural and electrochemical properties of a quaternary layered compound with elemental composition Mn2Sb3O6Cl have been investigated upon reaction with lithium in Li half cells. Operando XRD was used to investigate the potential impact of this parti ...
The Mn4CaO5 cluster of photosystem II promotes a crucial step in the oxygenic photosynthesis, namely, the water-splitting reaction. The structure of such cluster in the S-1 state of the Kok-Joliot's cycle has been recently resolved by femtosecond X-ray fre ...
This paper focuses on the prediction of temperature profiles on the surface of Lithium-ion cells. In particular, the paper proposes the adoption of the impulse response technique to predict cell surface temperatures consequent to generic discharge conditio ...
Accurate models capable to predict the dynamic behavior and the State-of-Charge (SoC) of Battery Energy Storage Systems (BESSs) is a key aspect for the definition of model-based controls in electric vehicles and in power grid applications of these energy s ...
This paper focuses on the prediction of temperature profiles on the surface of lithium-ion cells using a non-parametric method. In particular, this paper proposes the adoption of the impulse response technique to compute and interpret cell surface temperat ...