相关论文: Hydrogen storage in nanocrystalline high entropy m…

Magnesium hydride (MgH$_2$) has been widely studied for effective hydrogen storage. However, its bulk desorption temperature (553 K) is deemed too high for practical applications. Besides doping, a strategy to decrease such reaction energy…

Research on high-entropy-alloy (HEA) superconductors is a growing field in material science. In this study, we explored new HEA-type superconductors and discovered a CuAl2-type superconductor Co0.2Ni0.1Cu0.1Rh0.3Ir0.3Zr2 with a HEA-type…

The United States Department of Energy (DOE) has set ambitious targets for hydrogen storage materials for onboard light-duty cars which are to be achieved by 2027. One of the major problems in solid hydrogen storage materials is the…

Monophasic and homogeneous Ni10Zr7 nanocrystalline alloy films were successfully grown at room temperature by co-sputtering in an indigenously developed three-gun DC/RF magnetron sputtering unit. The films could be produced with long-range…

With the aim of the discovery of face-centered-cubic (fcc) high-entropy alloy (HEA) superconductor, we have carried out materials research on Nb or Pb-containing multi-component alloys. Although the X-ray diffraction (XRD) patterns of some…

We synthesized a new high-entropy-alloy-type (HEA-type) superconductor (Fe,Co,Ni,Cu,Ga)Zr2 with a Tc of 2.9 K. The EDX analyses revealed that the actual composition of the transition-metal site (Tr-site) is Tr =…

The energy demands for the growing development of society need to be catered with alternative and green fuels like hydrogen energy for a lasting and sustainable culture. One essential component of the hydrogen economy is the efficiency of…

Studies on high-entropy alloy (HEA) superconductors have recently been increasing, particularly in the fields of materials science and condensed matter physics. To contribute to research on new HEA-type superconductors, in our study we…

Hydrogen embrittlement can result in a sudden failure in metallic materials, which is particularly harmful in industrially relevant alloys, such as steels. A more comprehensive understanding of hydrogen interactions with microstructural…

We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…

Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations…

Synthesizing unconventional alloys remains challenging owing to seamless interactions between kinetics and thermodynamics. High entropy alloys (HEAs), for example, draw a fundamentally new concept to enable exploring unknown regions in…

Metallic hydrogen is capable of showing room temperature superconductivity, but its experimental syntheses are extremely hard. Therefore, it is desirable to reduce the synthesis pressure of metallic hydrogen by adding other chemical…

High entropy alloys (HEAs) are a recently-opened research area in materials science and condensed matter physics. Although 3d-metal-based HEAs have already been the subject of many investigations, studies of HEA superconductors, which tend…

Expanding pollution and rapid consumption of natural reservoirs (gas, oil, and coal) led humankind to explore alternative energy fuels like hydrogen fuel. Solid-state hydrogen storage is most desirable because of its usefulness in the…

Amorphous hydrogenated silicon (a-Si:H) is an important material for surface defect passivation of photovoltaic silicon (Si) wafers in order to reduce their recombination losses. The material is however unstable with regards to hydrogen (H)…

Here, we report the synthesis and physical properties of Co2FeGe (CFG) Heusler alloy (HA) nanoparticles (NPs). The NPs of size 23 nm are prepared using the co-precipitation method. X-ray and selected area electron diffraction patterns have…

This article presents the reversible hydrogen storage capacities of Li-decorated Si6C14 and Si8C12 using Density Functional Theory (DFT). The chemical stabilities of the designed Si6C14Li6 and Si8C12Li4 nanocages are investigated using…

Eutectic high entropy alloys (EHEAs) are emerging as an exciting new class of structural alloys as they have shown very promising mechanical properties. However, how to design these alloys has been a challenge. In this work, a simple…

The hydrogen adsorption sites in MOF5 were determined using neutron powder diffraction along with first-principles calculations. The metal-oxide cluster is primarily responsible for the adsorption while the organic linker plays only a…