Results 31 to 40 of about 531,389 (296)
Materials Research Express, 2022 The microstructure and properties of Al-Si-Zn-Sr filler metals and brazed 6061-T6 aluminum alloy after heat treatment were studied, and the adsorption energy of Sr element on Si (111) surface was calculated. After Sr was added to Al-6Si-40Zn filler metal,
Guangyu Wang +3 more
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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
Adsorption Investigation of Boron Nitride Nanoparticle as Biodegradable Drug Delivery Carriers for the Mercaptopurine Anti-cancer Drug by Density Functional Theory [PDF]
Journal of Sciences, Islamic Republic of IranCancer is one of the most common diseases that affects many people around the world, and one of the challenges of the scientific community in dealing with cancer is to deliver drugs to cancerous tumors.
Nasrin Masnabadi +2 more
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Computation, 2021 Experimental studies have shown the possible production of hydrogen through photocatalytic water splitting using metal oxide (MOy) nanoparticles attached to an anatase TiO2 surface.
Leila Kalantari +2 more
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Crystals, 2021 The growth of large areas of two-dimensional homogeneous graphene depends on the bond between the metal film, which acts as a catalyst, and the substrate material.
Yuhang Xu +3 more
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Theoretical Study of Ability of Boron Nitride Nanocone to Oxidation of Sulfur Monoxide
Acta Chimica Slovenica, 2018 In recent years, the discovery of suitable catalyst to oxidation of sulfur monoxide (SO) in normal temperature is a major concern in the industry. In this study, in first step; the boron nitride nanocone (BNNC) with Ge were doped and the surface of Ge ...
Xuewu Zuo +4 more
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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
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Sensing behavior of acetone vapors on TiO$_2$ nanostructures --- application of density functional theory [PDF]
, 2017 The electronic properties of TiO$_2$ nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO$_2$ nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge ...
Chandiramouli, R. +2 more
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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
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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
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