Results 71 to 80 of about 531,389 (296)
Tin Monooxide Monolayer as Promising Anode Materials for Recharge Ion Batteries
International Journal of Electrochemical Science, 2017 Using density functional theory, Li, Na and Mg adsorption and diffusion on a SnO monolayer were investigated. The energetically favored adsorption sites and diffusion paths for Li, Na and Mg were determined.
Aijian Huang, Xiaoli Sun, Sha Dong
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Polymer-Chain Adsorption Transition at a Cylindrical Boundary
, 1995 In a recent letter, a simple method was proposed to generate solvable models that predict the critical properties of statistical systems in hyperspherical geometries.
A. Takahashi +18 more
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Advanced Functional Materials, EarlyView.The separation of Helium gas from natural gas is challenging but highly important. MIL‐116(Ga), a “non‐porous” metal–organic framework is used as a molecular sieve to separate He from CH4. Druse‐like MIL‐116(Ga) particles are integrated into polysulfone mixed matrix membranes.
Ayisha Komal +10 more
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MoleculesThe formation of barium sulfate scale is a persistent and formidable challenge across various industrial processes. In order to effectively mitigate this problem, this study proposed the development of an innovative azacrown ether-based macrocycle ...
Da Wu +5 more
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Density Functional Theory Study Of The Interaction Of Hydroxyl Groups With Iron Surface
Archives of Metallurgy and Materials, 2015 The electronic interaction of hydroxyl groups with Fe(100) surface is modelled using a density functional theory (DFT) approach. The adsorption energies and structures of possible adsorption sites are calculated.
Nunomura N., Sunada S.
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Adsorption Sites on Pd Nanoparticles Unraveled by Machine-Learning Potential with Adaptive Sampling
Molecules, 2022 Catalytic properties of noble-metal nanoparticles (NPs) are largely determined by their surface morphology. The latter is probed by surface-sensitive spectroscopic techniques in different spectra regions.
Andrei Tereshchenko +5 more
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Graphdiyne as a Promising Substrate for Stabilizing Pt Nanoparticle Catalyst
, 2015 At present, Pt nanoparticle catalysts in fuel cells suffer from aggregation and loss of chemical activity. In this work, graphdiyne, which has natural porous structure, was proposed as substrate with high adsorption ability to stabilize Pt nanoparticles.
Lin, Zheng-Zhe
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Advanced Functional Materials, EarlyView.This study presents novel anti‐counterfeiting tags with multilevel security features that utilize additional disguise features. They combine luminescent nanosized Ln‐MOFs with conductive polymers to multifunctional mixed‐matrix membranes and powder composites. The materials exhibit visible/NIR emission and matrix‐based conductivity even as black bodies.
Moritz Maxeiner +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies +8 more
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Metals, 2018 The computational modeling of corrosion inhibitors at the level of molecular interactions has been pursued for decades, and recent developments are allowing increasingly realistic models to be developed for inhibitor–inhibitor, inhibitor–solvent and ...
Christopher D. Taylor +2 more
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