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Hierarchical structures are abundant in nature, such as in the superhydrophobic surfaces of lotus leaves and the structural coloration of butterfly wings. They consist of ordered features across multiple size scales, and their unique…
The strong metal-support interaction (SMSI) leads to substantial changes of the properties of an oxide-supported catalyst after annealing under reducing conditions. The common explanation is the formation of heavily reduced, ultrathin oxide…
Additive microfabrication processes based on localized electroplating enable the one-step deposition of micro-scale metal structures with outstanding performance, e.g. high electrical conductivity and mechanical strength. They are therefore…
Organic electrochemical transistors (OECTs) are currently being investigated for various applications, ranging from sensors to logics and neuromorphic hardware. The fabrication process must be compatible with flexible and scalable digital…
Crystal phase semiconductor heterostructures allow for electron confinement without uncertainties caused by chemical intermixing found in material heterostructures and are candidates for next generation optoelectronics devices ranging from…
Oxide heterostructures represent a unique playground for triggering the emergence of novel electronic states and for implementing new device concepts. The discovery of 2D conductivity at the $LaAlO_3/SrTiO_3$ interface has been linking for…
For the advancement of highly-integrated stretchable electronics, the development of scalable sub-micrometer conductor patterning is required. Eutectic gallium indium EGaIn is an attractive conductor for stretchable electronics, as its…
Until now, the fabrication of electrocatalysts to guarantee long life of fuel cells and low consumption of noble metals remains a major challenge. The electrocatalysts based on metals or metal oxides which are used today are limited by the…
Zircaloy-4 is used extensively as nuclear fuel cladding materials and hydride embrittlement is a major failure mechanism. To explore the effect of {\delta}-hydride on plastic deformation and performance of Zircaloy-4, in situ high angular…
Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…
The design and preparation of novel quantum materials with atomic precision are crucial for exploring new physics and for device applications. Electron irradiation has demonstrated as an effective method for preparing novel quantum…
We introduce an adhesion parameter that enables rapid screening for materials interfaces with high adhesion. This parameter is obtained by density functional theory calculations of individual single-material slabs rather than slabs…
We describe, within an ab-initio approach, the stabilization of the tetragonal phase vs. the monoclinic one in Yttrium-doped Zirconia. The process is believed to be influenced from different mechanisms. Indeed we show that there is a…
The tetragonal to monoclinic (t-m) phase transformation of zirconia has been the object of extensive investigations of the last twenty years, and is now recognised as being of martensitic nature. However, martensitic transformation has only…
The ab-initio computational treatment of electrochemical systems requires an appropriate treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface is computationally demanding due to the large number of…
We present an ab initio study of the interface energies of cubic yttria-stabilized zirconia (YSZ) epitaxial layers on a (0001)_{alpha-Al_2O_3} substrate. The interfaces are modelled using a supercell geometry and the calculations are…
Oxide superlattices and microstructures hold the promise for creating a new class of devices with unprecedented functionalities. Density-functional studies of the recently fabricated superlattices of lattice-matched perovskite titanates…
The current work studies the electrocatalytic performance of NaNbO$_3$ microcubes decorated with WO$_3$ nanoparticles on Printex L6 at varying concentrations (1%, 3%, 5%, and 10% by weight) for H$_2$O$_2$ electrogeneration aiming for future…
Two-dimensional (2D) semiconductors are promising channel materials for continued downscaling of complementary metal-oxide-semiconductor (CMOS) logic circuits. However, their full potential continues to be limited by a lack of scalable…
Motivated by experimentally observed biocompatibility enhancement of nanoengineered cubic zirconia ZrO2 coatings to mesenchymal stromal cells, we have carried out computational analysis of the initial immobilization of one of known…