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The aim of this thesis is to contribute to the development of analysis methods that enable an improved investigation of the CO2 hydrogenation reaction such as quantitative mass spectrometry and infrared thermography. Furthermore, the contribution is in the ...
Establishing a link between atomistic processes and battery cell behavior is a major challenge for lithium ion batteries. Focusing on liquid electrolytes, we describe parameter-free molecular dynamics predictions of their mass and charge transport properti ...
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 ...
Multimetallic cooperative binding of heteroallenes provides an attractive route to their activation, but the reduction of CS2 at heterobimetallic sites, associating an electron-rich metal with a main group Lewis acid has not been explored. Here we show tha ...
Extent-based kinetic identification is a modeling technique that uses number of moles / concentrations measurements to compute extents and identify reaction kinetics (partial orders of reactions and reaction rate constant) by the integral method of paramet ...
Within the context of the electrical circuit modeling of batteries, this paper proposes an improvement of the most common electric equivalent circuit used for Lithium cells. The main improvement is based on the modeling of the so-called charge redistributi ...
Replacing the liq. electrolyte in lithium batteries by a solid has been a long-standing goal of the battery industry due to the promise of better safety and the potential to produce batteries with higher energy densities. Recently, sym. polystyrene-block-p ...
Some fundamental challenges are shaping the world we live in, and the need for alternative materials and energies is one of the most prominent issues of this century, especially in the light of global warming and energy need. Another crucial point concerns ...
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 ...
Through a combination of bulk, interface, and interphase effects, water-in-salt electrolytes, employing a high salt concentration, offer a wider electrochemical stability window than traditional dilute aqueous electrolytes. Here we explore chemical stabili ...