Related papers: Harnessing Zn-Volatility for Compositional Tuning …
Using first-principles approaches, this study investigated the efficiency of energy conversion in nanojunctions, described by the thermoelectric figure of merit $ZT$. We obtained the qualitative and quantitative descriptions for the…
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…
Zinc alloys are recognised for their excellent biocompatibility and favourable corrosion rates, making them suitable for bioabsorbable implants. However, their mechanical properties necessitate improvement to fulfil the rigorous…
The effects of thermal treatments on metallic glass nanolaminates (NLs), with a composition of Zr$_{24}$Cu$_{76}$ and Zr$_{61}$Cu$_{39}$ and a bilayer period of 50 nm, were explored to control their mechanical properties through…
This paper is devoted to study the electrochemical behavior of Pt catalyst in a polymer electrolyte fuel cell at various operating conditions and at different electric potential difference (also known as voltage) cycling applied in…
We have investigated the combined effect of low-energy self-implantation and thermal annealing on the near-surface defect concentration of ZnO single-crystals. Using ionoluminescence (IL), we demonstrate that a combination of low-energy…
Spherical NiPt@C nanoalloys encapsulated in carbon shells are synthesized by means of high-pressure chemical vapour deposition. Upon variation of the synthesis parameters, both the alloy core composition and the particle size of the…
Mn-Zn ferrite nanoparticles have been subject of increasing research due to their desired properties for a wide range of applications. These properties include nanometer particle size control, tunable magnetic properties and low toxicity,…
Ternary transition metal nitrides (TMNs) promise to significantly expand the material design space by opening new functionality and enhancing existing properties. However, most systems have only been investigated computationally and limited…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…
Monte-Carlo simulation technique has been used to investigate the effect of temperature and adsorbed gases on the composition profile of unsupported Pt-Rh nanocatalysts. For a 2406 atom fcc cubo-octahedral Pt$_{\rm{}50}$Rh$_{\rm{}50}$…
Nanoparticles (NPs) make for intriguing heterogeneous catalysts due to their large active surface area and excellent and often size-dependent catalytic properties that emerge from a multitude of chemically different surface reaction sites.…
We investigate the nanoscale mechanisms determining lattice thermal conductivity (LTC) of pristine and W-doped MX$_2$-M$^\prime$X$^\prime_2$ transition metal dichalcogenide heterobilayers from first principles, using the exact solution of…
Engineering materials to include nanoscale porosity or other nanoscale structures has become a well-established strategy for enhancing the thermoelectric performance of dielectrics. However, the approach is only considered beneficial for…
We have investigated the effect of Zn substitution on the hole content, p, and the oxygen deficiency, d, for a series of high-quality crystalline c-axis oriented thin films and polycrystalline Y1-xCaxBa2(Cu1-yZny)3O7-delta compounds over a…
Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…
Monte Carlo simulations based on a first-principles-derived Hamiltonian are conducted to study the properties of PZT alloys compositionally modulated along the [100] pseudocubic direction near the morphotropic phase boundary (MPB). It is…
Nickel carbon nanotube composites with varying amounts of carbon nanotubes are deformed by high pressure torsion at different deformation temperatures to high strains, where no further refinement of the Nickel matrix microstructure is…
The synthesis of solar methanol through direct CO2 hydrogenation using solar energy is of great importance in advancing a sustainable energy economy. In this study, non-precious NiZn intermetallic/ZnO catalyst is reported to catalyze the…