Browsing by Keywords "Adsorption"
Now showing items 1-20 of 60
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Ab initio temperature dependent studies of the homoepitaxial growth on Si(0 0 1) surface
(2001)We performed ab initio zero temperature and finite temperature molecular dynamics calculations to investigate the homoepitaxial growth on the Si(0 0 1) surface. How do the deposited atoms (adatoms) form addimers and how ... -
Adsorption behavior of radionuclides, 137Cs and 140Ba, onto solid humic acid
(Springer, 2011)In this research, the adsorption behaviors of two important fission product radionuclides (137Cs and 133Ba) onto sodium form of insolubilized humic acid (INaA) were investigated as a function of time, cation concentration ... -
Adsorption of group IV elements on graphene, silicene, germanene and stanene: dumbbell formation
(ACS Publications, 2014-12-09)Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in multilayers of these honeycomb structures. Using first-principles calculations based on density functional theory, here we ... -
Adsorption site of alkali metal overlayers on Si(001) 2 × 1
(1992)The alkali metal semiconductor interfaces are currently being investigated by a variety of tools. Most studies to date at half a monolayer coverage have shown preference for either a quasi-hexagonal (H) site or a long-bridge ... -
A characterization study of some aspects of the adsorption of aqueous Co2+ ions on a natural bentonite clay
(Academic Press, 2006-06-13)The natural bentonite used in this study contained montmorillonite in addition to low cristobalite. The uptake of aqueous Co2+ ions was investigated as a function of time, concentration, and temperature. In addition, the ... -
A comparative study of O2 adsorbed carbon nanotubes
(2003)First-principles, density functional calculations show that O2 adsorbed single-wall carbon nanotubes (SWNT) show dramatic differences depending on the type of the tube. Upon O2 physisorption, the zig-zag SWNT remains ... -
Cyclodextrin-functionalized mesostructured silica nanoparticles for removal of polycyclic aromatic hydrocarbons
(Academic Press Inc., 2017)Polycyclic aromatic hydrocarbons (PAHs) are the byproducts of the incomplete combustion of carbon-based fuels, and have high affinity towards DNA strands, ultimately exerting their carcinogenic effects. They are ... -
Development of superhydrophobic electrospun fibrous membrane of polymers of intrinsic microporosity (PIM-2)
(Elsevier, 2018)Polymers of intrinsic microporosity (PIMs) are increasingly recognized as a potential membrane material for adsorption and separation applications due to their permanent porosity and solution processability. PIM-2 can ... -
Direct evidence for the instability and deactivation of mixed-oxide systems: influence of surface segregation and subsurface diffusion
(2011)In the current contribution, we provide a direct demonstration of the thermally induced surface structural transformations of an alkaline-earth oxide/transition metal oxide interface that is detrimental to the essential ... -
Effects of laser ablated silver nanoparticles on Lemna minor
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Effects of silicon and germanium adsorbed on graphene
(A I P Publishing LLC, 2010)Based on the first-principles plane wave calculations, we studied the adsorption of Si and Geon graphene. We found that these atoms are bound to graphene at the bridge site with a significant binding energy, while many ... -
Electroless synthesis of 3nm wide alloy nanowires inside Tobacco mosaic virus
(2012)We show that 3nm wide cobaltiron alloy nanowires can be synthesized by simple wet chemical electroless deposition inside tubular Tobacco mosaic virus particles. The method is based on adsorption of Pd(II) ions, formation ... -
Elucidating the barriers on direct water splitting: key role of oxygen vacancy density and coordination over PbTiO3 and TiO2
(American Chemical Society, 2021-01-28)In this work, using the state-of-the-art first-principles calculations based on density functional theory, we found that the concentration and coordination of surface oxygen vacancies with respect to each other were critical ... -
Energetics and Electronic Structures of Individual Atoms Adsorbed on Carbon Nanotubes
(American Chemical Society, 2004)The adsorption of individual atoms on the semiconducting and metallic single-walled carbon nanotubes (SWNT) has been investigated by using the first principles pseudopotential plane wave method within density functional ... -
Enhancement of formic acid dehydrogenation selectivity of Pd(111) single crystal model catalyst surface via Brønsted bases
(American Chemical Society, 2019)The influence of ammonia (NH3) on the doubly deuterated formic acid (DCOOD, FA) dehydrogenation selectivity for a Pd(111) single crystal model catalyst surface was investigated under ultrahigh vacuum conditions using ... -
Fabrication of cellulose acetate/polybenzoxazine cross-linked electrospun nanofibrous membrane for water treatment
(Elsevier, 2017-12)Herein, polybenzoxazine based cross-linked cellulose acetate nanofibrous membrane exhibiting enhanced thermal/mechanical properties and improved adsorption efficiency was successfully produced via electrospinning and thermal ... -
Fe promoted NOx storage materials: structural properties and NOx uptake
(American Chemical Society, 2010)Fe promoted NOx storage materials were synthesized in the form of FeOx/BaO/Al2O3 ternary oxides with varying BaO (8 and 20 wt %) and Fe (5 and 10 wt %) contents. Synthesized NOx storage materials were investigated via TEM, ... -
Femtosecond response of J aggregates adsorbed onto silver colloid surfaces
(2003)The observation of stimulated emission from J aggregates adsorbed onto silver colloid surfaces using femtosecond excitation was reported. The stimulated emission was inferred from the excitation intensity and wavelength ... -
Finite temperature studies of Te adsorption on Si(0 0 1)
(Elsevier, 2002)We perform first principles density functional calculations to investigate the adsorption of Te on the Si(0 0 1) surface from low coverage up to a monolayer coverage. At low coverage, a Te atom is adsorbed on top of the ... -
Formation of quantum structures on a single nanotube by modulating hydrogen adsorption
(American Physical Society, 2003)Using first-principles density functional calculations we showed that quantum structures can be generated on a single carbon nanotube by modulating the adsorption of hydrogen atoms. The band gap of the hydrogen-free zone ...
