Results 41 to 50 of about 236,738 (314)
Methane Adsorption on Aggregates of Fullerenes: Site‐Selective Storage Capacities and Adsorption Energies [PDF]
ChemSusChem, 2013 AbstractMethane adsorption on positively charged aggregates of C60 is investigated by both mass spectrometry and computer simulations. Calculated adsorption energies of 118–281 meV are in the optimal range for high‐density storage of natural gas. Groove sites, dimple sites, and the first complete adsorption shells are identified experimentally and ...
Kaiser, Alexander +8 more
openaire +3 more sources
Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide
, 2015 Monolayer Molybdenum Disulfide (MoS2) is a promising anode material for lithium ion batteries because of its high capacities. In this work, first principle calculations based on spin density functional theory were performed to investigate adsorption and ...
Xiaoli Sun +5 more
core +1 more source
Competitive adsorption of phenolic compounds from aqueous solution using sludge‐based activated carbon. [PDF]
, 2011 Preparation of activated carbon from sewage sludge is a promising approach to produce cheap and efficient adsorbent for pollutants removal as well as to dispose of sewage sludge.
Wilhelm, Anne-Marie +7 more
core +1 more source
First principles study of dissolved oxygen water adsorption on Fe (001) surfaces
Journal of Hebei University of Science and Technology, 2018 In order to study the mechanism of dissolved oxygen content on the surface corrosion behavior of Fe-based heat transfer, the first principle is used to study the adsorption of O2 monomolecular, H2O monolayer and dissolved oxygen system on Fe-based heat ...
Dong ZHANG +4 more
doaj +1 more source
Adsorption of 4,4″-Diamino-p-Terphenyl on Cu(001): A First-Principles Study
Surfaces, 2021 Single-molecular devices show remarkable potential for applications in downscale electronic devices. The adsorption behavior of a molecule on a metal surface is of great importance from both fundamental and technological points of view.
Chang-Tian Wang +2 more
doaj +1 more source
Predicting Surface Strain Effects on Adsorption Energy with Graph Neural Networks
, 2022 Modifying the adsorption energies of reaction intermediates on different material surfaces can significantly improve heterogeneous catalysis by reducing energy barriers for intermediate elementary reaction steps.
Christopher, Price +3 more
core +1 more source
Frontiers in Chemistry, 2022 Cobalt-nitride-carbide (Co-N-C) catalysts are promising cost-efficient transition metal catalysts for electrocatalytic hydrogen evolution, but few works investigate the metal–support interaction (MSI) effect on hydrogen evolution reaction (HER ...
Xuan Zhang +7 more
doaj +1 more source
Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies
FEBS Open Bio, EarlyView.We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli +8 more
wiley +1 more source
Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)
Beilstein Journal of Nanotechnology, 2020 Porphyrins represent a versatile class of molecules, the adsorption behavior of which on solid surfaces is of fundamental interest due to a variety of potential applications. We investigate here the molecule–molecule and molecule–substrate interaction of
Feifei Xiang +3 more
doaj +1 more source
Metals, 2022 Al-Ti-B intermediate alloys are widely used as grain refiners in aluminum alloys owing to the presence of Al3Ti and TiB2 phases. However, the existence of Zr in aluminum alloy melts often results in coarse grain size, leading to Al-Ti-B failure called Zr
Jianqiang Wu +7 more
doaj +1 more source