Analysis of adsorption energy distribution in selected hydrophilic-interaction chromatography systems with amide, amine and zwitterionic stationary phases.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of separation science"
DOI: 10.1002/jssc.202100160
Abstract: Adsorption mechanism of caffeine, quercetin and phenol as test substances in various chromatographic systems have been analyzed. The investigations were conducted using three different chromatographic columns packed with polar bonded stationary phases, i.e. amide, amine… read more here.
Keywords: adsorption; adsorption energy; energy; amine zwitterionic ... See more keywords
Effect of pore confinement on the adsorption of mono-branched alkanes of naphtha in ZSM-5 and Y zeolites
Sign Up to like & getrecommendations! Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.06.058
Abstract: Abstract Branched alkanes are important parts of naphtha, and their conversions are related to the adsorption stabilities in the pore of zeolites. In this work, the adsorption stabilities of C7–C10 mono-branched alkanes in the pores… read more here.
Keywords: adsorption; adsorption energy; alkane; effect ... See more keywords
Electronic properties and superior CO2 capture selectivity of metal nitride (XN) and phosphide (XP) (X = Al, Ga and In) sheets
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.146445
Abstract: Abstract In this work, we performed ab initio calculations to investigate the structural stability, carrier mobility, and CO2 separation and capture ability of mono-layered group III nitrides (XN) and phosphides (XP) (X = Al, Ga, In). The… read more here.
Keywords: co2 capture; adsorption energy; electronic properties; properties superior ... See more keywords
Fast growth of large single-crystalline graphene assisted by sequential double oxygen passivation
Sign Up to like & getrecommendations! Published in 2017 at "Carbon"
DOI: 10.1016/j.carbon.2017.01.108
Abstract: Abstract Graphene has been considered an extraordinary platform for electronic applications, while it still remains a challenge to fast synthesize large single-crystalline graphene (LSCG) for widespread use. Since the adsorption energy of single carbon on… read more here.
Keywords: oxygen; large single; adsorption energy; crystalline graphene ... See more keywords
A novel laser-based method to measure the adsorption energy on carbonaceous surfaces
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DOI: 10.1016/j.carbon.2020.10.064
Abstract: Abstract The reactivity of carbonaceous surfaces bears a fundamental role in various fields, from atmospheric chemistry and catalysis to graphene and nanoparticles. This reactivity is mainly driven by the surface chemical composition and by the… read more here.
Keywords: adsorption; adsorption energy; laser based; based method ... See more keywords
Surface water H-bonding network is key controller of selenate adsorption on [012] α-alumina: An Ab-initio study.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of colloid and interface science"
DOI: 10.1016/j.jcis.2022.02.128
Abstract: Selenate adsorption onto metal oxide surfaces is a cost-effective method to remove the toxin from drinking water systems. However, the low selectivity of metal oxides requires frequent sorbent replacement. The design of selective adsorbents is… read more here.
Keywords: adsorption; surface water; surface; adsorption energy ... See more keywords
Adsorption characteristics composition of Ge and Si on 4H-SiC(0 0 0 1) surface
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Crystal Growth"
DOI: 10.1016/j.jcrysgro.2019.125370
Abstract: Abstract Silicon (Si) and germanium (Ge) are two important materials for hetero-epitaxy of 4H-silicon carbide (4H-SiC), so the First-principles calculation is employed to compare the difference of the adsorptions of Ge and Si atoms on… read more here.
Keywords: adsorption; adsorption energy; adsorbed atom; surface ... See more keywords
Ethyl benzene detection by BN nanotube: DFT studies
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Saudi Chemical Society"
DOI: 10.1016/j.jscs.2013.09.008
Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward ethyl benzene (C8H10) molecule by using density functional theory (DFT) calculations at the B3LYP/ 6-31G(d) level, and it was found that the adsorption energy… read more here.
Keywords: ethyl benzene; adsorption energy; dft; benzene detection ... See more keywords
Adsorption of H2 and CO2 gas molecules on Li/Na decorated Si2BN nano-sheet for energy harvesting applications – A density functional study
Sign Up to like & getrecommendations! Published in 2020 at "Materials Letters"
DOI: 10.1016/j.matlet.2020.128487
Abstract: Abstract The Li and Na decorated Si2BN are investigated as electrodes for energy applications. At first, Na and Li decorated Si2BN is used to adsorb H2 molecules and the obtained adsorption energy values are in… read more here.
Keywords: adsorption energy; decorated si2bn; energy; co2 ... See more keywords
First-principles study on the influence of compressive deformation on the oxygen adsorption energy and electrical properties of phosphorene
Sign Up to like & getrecommendations! Published in 2019 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2019.03.036
Abstract: Abstract In this paper, the first-principles method is used to systematically study the influence of compressive deformation on the oxygen adsorption and electrical properties of phosphorene surface and the related mechanism. According to results, the… read more here.
Keywords: oxygen adsorption; band; energy; oxygen ... See more keywords
Theoretical study of the oxygen adsorption energy for the supported Pt cluster, focused on the electronic metal-support interaction
Sign Up to like & getrecommendations! Published in 2021 at "Surface Science"
DOI: 10.1016/j.susc.2020.121747
Abstract: Abstract This study analyzed the icosahedral Pt55 cluster on the surface of La2O3 by density functional theory (DFT) calculations. The oxygen adsorption energy (ΔE) for the supported Pt55 cluster was different from the ΔE value… read more here.
Keywords: adsorption energy; pt55 cluster; oxygen adsorption; cluster ... See more keywords