Related papers: Effect of vanadium catalysts on hydrogen evolution…
Iron oxide nano particles with nominal Fe2O3 stoichiometry were synthesized by a wet, soft chemical method with the heat treatment temperatures from 250{\deg}C to 900{\deg}C in air. The variation in the structural properties of the nano…
We report first-principles density functional theory studies of native defects in lithium borohydride (LiBH$_{4}$), a potential material for hydrogen storage. Based on our detailed analysis of the structure, energetics, and migration of…
Two new phases of hydrogen have been discovered at room temperature in Ref.1: phase IV above 220 GPa and phase V above ~270 GPa. In the present work we have found a new phase VI at P~360 GPa and T<200 K. This phase is likely metallic as…
Within the modified model of proton ordering of one-dimensional ferroelectric having hydrogen bonds of PbHPO$_4$-type, their thermodynamic and dynamic characteristics are studied and calculated taking into account the linear (by crystal…
Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron…
We modified native wheat starch using 15, 30, and 60 min of acid hydrolysis (AH). The non-modified and AH-modified starches were converted to highly-homogeneous thermo-plastic starches (TPS) using our two-step preparation protocol…
It is claimed that all of the pressure scales of the reported melting curves derived by diamond anvil cell experiments require a correction which takes into account the pressure thermal shift, where vanadium is an illustrative example. The…
Due to local field enhancement and subwavelength confinements, nano-plasmonics provide numerous novel applications. Simultaneously, as an efficient nanoscale heat generator from inherent absorption, thermo-plasmonics is emerging as an…
The adsorption of hydrogen at nonpolar GaN(1-100) surfaces and its impact on the electronic and vibrational properties is investigated using surface electron spectroscopy in combination with density functional theory (DFT) calculations. For…
The ionic conduction properties of the technologically important two-dimensional (2D) layered battery material Na2Mn3O7, with exceptional small-voltage hysteresis between charge and discharge curves, have been investigated as a function of…
A stable suspension of nanoscale particles due to the Casimir force is of great interest for many applications such as sensing, non-contract nano-machines. However, the suspension properties are difficult to change once the devices are…
Optical properties of compressed fluid hydrogen in the region where dissociation and metallization is observed are computed by ab-initio methods and compared to recent experimental results. We confirm that above 3000 K both processes are…
Nanoscaling interstitial metal hydrides offers opportunities for hydrogenation applications by enhancing kinetics, increasing surface area, and allowing for tunable properties. The introduction of interfaces impacts hydrogen absorption…
Fe$_{3}$Ga$_{4}$ displays a complex magnetic phase diagram that is sensitive and tunable with both electronic and crystallographic structure changes. In order to explore this tunability, vanadium-doped (Fe$_{1-x}$V$_{x}$)$_{3}$Ga$_{4}$ has…
The insulator-metal transition in hydrogen is one of the most outstanding problems in condensed matter physics. The high-pressure metallic phase is now predicted to be liquid atomic from T=0 K to very high temperatures. We have conducted…
The resistivity and thermopower of Na$_{1+x}$Co$_2$O$_4$ and Na$_{1.1-x}$Ca$_x$Co$_2$O$_4$ are measured and analyzed. In Na$_{1+x}$Co$_2$O$_4$, whereas the resistivity increases with $x$, the thermopower is nearly independent of $x$. This…
Every time a chemical reaction occurs, an energy exchange between reactants and environment exists, which is defined as the enthalpy of the reaction. In the last decades, research has resulted in an increasing number of devices at the…
Vanadium dioxide (VO$_2$) has received significant interest in the context of nanophotonic metamaterials and memories owing to its reversible insulator-metal transition associated with significant changes in its optical and electronic…
The hydrogen evolution reaction (HER) is a key process in electrochemical water splitting. To lower the cost and environmental impact of this process, it is highly motivated to develop electrocatalysts with low or no content of noble…
Supported vanadia catalysts are modeled within the cluster DFT approach to get an insight into the mechanism in which the support affects the activity of vanadia in the oxidation processes. The energy of the V=O group dissociation chosen as…