Browsing by Subject "Atoms"
Now showing items 1-8 of 8
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Ag nanoparticles modified crumpled borophene supported Co3O4 catalyst showing superior oxygen evolution reaction (OER) performance
(2021)Herein, we report borophene decorated with Ag nanoparticles (Ag@B) as a support, which shows greatly enhanced oxygen-evolution-reaction (OER) performance for Co3O4 catalysts. The excellent OER performance of Co3O4-Ag@B is ... -
Atomic Scale Mechanisms of Multimode Oxide Growth on Nickel-Chromium Alloy: Direct in Situ Observation of the Initial Oxide Nucleation and Growth
(2021)The initial growth mode of oxide on alloy plays a decisive role in the development of protective oxide scales on metals and alloys, which is critical for their functionality for high temperature applications. However, the ... -
Confinement of volatile fission products in the crystalline organic electride Cs+(15C5)2•e-
(2022)The efficacy of filters to trap volatile radiotoxic nuclear fission products depends on the thermodynamic stability of these species within the filter material. Using atomic scale modeling based on density functional theory ... -
Cross-double dumbbell-like Pt–Ni nanostructures with enhanced catalytic performance toward the reactions of oxygen reduction and methanol oxidation
(2019)Investigating on well-defined structure-engineering and atomic arrangement of fuel cell catalysts with high activity has attracted considerable research interest the last decade. Specially, unique nanostructures, which ... -
The (Ns)2(Oi)n (n=1,2) defect in Si from a Density Functional Theory perspective
(2022)Nitrogen constitutes a significant defect in silicon (Si) as it can affect its mechanical properties. Substitutional nitrogen defects can be created from interstitial nitrogen defects during cooling of the crystal. In turn, ... -
Particle based simulation of fluid flow in periodically grooved channels
(2016)The method of Dissipative Particle Dynamics is applied to investigate the effect of the parameters employed to model the presence of periodic rectangular wall roughness on planar nanochannel flow. The parameters considered ... -
Single noble metal atoms doped 2D materials for catalysis
(2021)Single atoms loaded on two-dimensional materials (SA@2DMs) have been broadly explored recently in the field of catalysis. Compared with conventional supports, 2D materials with large surface areas, unique geometric structure, ... -
Single-atom catalysis for zinc-air/O2 batteries, water electrolyzers and fuel cells applications
(2022)We summarize the latest progress achieved in precious and non-precious carbon based single-atom catalytic active sites, including Pd, Pt, Ir, Ru, Rh, Au, Fe, Co, Mn, Zn, Sn, and Cu, aiming at facilitating metal-air/O2 ...