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Achieving reversible anode-free solid-state batteries hinges on controlling alkali-metal plating and stripping at buried interfaces, yet the underlying nanoscale mechanisms remain unresolved. Here we introduce virtual-electrode low-energy…
As a typical immiscible binary system, copper (Cu) and lithium (Li) show no alloying and chemical intermixing under normal circumstances. A notable example that takes advantages of the immiscibility between Cu and Li is the widespread…
A new phase field model of microstructural evolution is presented that includes the effects of elastic strain energy. The model's thin interface behavior is investigated by mapping it onto a recent model developed by Echebarria et al (Phys…
We present a theoretical study on the behavior under pressure of the two hypothetical C$_{46}$ and Li$_8$C$_{46}$ type-I carbon clathrates in order to bring new informations concerning their synthesis. Using \textit{ab initio} calculations,…
Layered LiMO2 (M = Ni, Co, Mn, and Al mixture) cathode materials used for Li-ion batteries are reputed to be highly reactive through their surface, where the chemistry changes rapidly when exposed to ambient air. However, conventional…
This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…
Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical…
Continued growth of the solid electrolyte interphase (SEI) is the major reason for capacity fade in modern lithium-ion batteries. This growth is made possible by a yet unidentified transport mechanism that limits the passivating ability of…
Bulk V2O3 features concomitant metal-insulator (MIT) and structural (SPT) phase transitions at TC ~ 160 K. In thin films, where the substrate clamping can impose geometrical restrictions on the SPT, the epitaxial relation between the V2O3…
Understanding solid liquid interfaces at high spatial and chemical resolution is crucial for advancing electrochemical energy storage technologies, yet this remains a persistent challenge due to the lack of characterisation techniques that…
Grain growth fundamentally shapes the microstructure of crystalline materials upon annealing, affecting their overall mechanical and functional properties. Recently, it has been rationalized that grain growth in polycrystals does not result…
We present a numerical investigation of energy and charge distributions during electron-beam-induced growth of W nanostructures on SiO2 substrates using Monte Carlo simulation of electron transport. This study gives a quantitative insight…
In a pouch cell battery, the intercalation of lithium ions into the active particles means the electrodes want to expand. However, since the electrodes are attached to stiff current collectors, this expansion is constrained, leading to a…
We study the effect of chargeable monomers on the conformation of dendrimers of low generation by computer simulations, employing bare Coulomb interactions. The presence of the latter leads to an increase in size of the dendrimer due to a…
Electrolyte decomposition reactions on Li-ion battery electrodes contribute to the formation of solid electrolyte interphase (SEI) layers. These SEI layers are one of the known causes for the loss in battery voltage and capacity over…
Strain-inducing deformations in graphene alter charge distributions and provide a new method to design specific features in the band structure and transport properties. Novel approaches implement engineered substrates to induce specifically…
We study the onset of delamination blisters in a growing elastic sheet adhered to a flat stiff substrate. When the ends of the sheet are kept fixed, its growth arouses residual stresses that lead to delamination. This instability can be…
Solidification is an important process in many alloy processing routes. The solidified microstructure of alloys is usually made up of dendrites, eutectics or a combination of both. The evolving morphologies are largely determined by the…
Laser-induced forward transfer (LIFT) printing is a versatile technique to realize micro/nano-scale additive manufacturing of functional materials, including metals and semiconductors. However, the crystallization phenomena during LIFT…
The primordial lithium problem remains a persistent motivation for new-physics modifications of Big Bang nucleosynthesis, yet the precision of the observed deuterium abundance now places strong constraints on such attempts. This indicates…