Theoretical insight into plasma deposition of laccase bio-coating formation
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Science"
DOI: 10.1007/s10853-019-03641-2
Abstract: Development of new techniques for deposition of biologically active coatings in the form of bio-recognition layers in biosensor construction is a current technological challenge. Biosensors are widely applied in environmental protection in determination of hazardous… read more here.
Keywords: theoretical insight; plasma; laccase; deposition ... See more keywords
Theoretical insight into the distinct photocatalytic activity between NiOx and CoOx loaded Ta3N5 photocatalyst
Sign Up to like & getrecommendations! Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.02.071
Abstract: Abstract Experiments found that cocatalysts play an important role in influencing the efficiency of photocatalysis and photoelectrochemical water splitting. However, how to choose proper cocatalysts in certain photocatalytic system is still a challenging question. In… read more here.
Keywords: photocatalytic activity; surface; distinct photocatalytic; insight distinct ... See more keywords
Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations
Sign Up to like & getrecommendations! Published in 2021 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2021.e00573
Abstract: Abstract Herein, the structural, elastic, electronic, and optical properties of Ru2TiSi and Ru2VAl Heusler alloys (HAs) compounds were calculated using the pseudopotential scheme within GGA + U approach. The obtained equilibrium ground states of properties were compared… read more here.
Keywords: stabilities optoelectronic; heusler alloys; theoretical insight; optoelectronic features ... See more keywords
Theoretical insight into electronic and molecular properties of halogenated (F, Cl, Br) and hetero-atom (N, O, S) doped cyclooctane
Sign Up to like & getrecommendations! Published in 2022 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2021.125239
Abstract: Abstract Undoubtedly, cyclooctane has been investigated theoretically and experimentally, however, considering the vast application of cycloalkanes and limited research for the higher members, the reactivity and structural investigation of cyclooctane, fluorocyclooctane, bromocyclooctane, chlorocyclooctane, azocane, oxocane… read more here.
Keywords: theoretical insight; molecular properties; properties halogenated; electronic molecular ... See more keywords
A Theoretical Insight of Cr Dopant in Tungsten Oxide for Gas Sensor Application
Sign Up to like & getrecommendations! Published in 2021 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2021.102508
Abstract: Abstract This is a study on the impact of Cr dopant in (WO3)n (n = 2 to 4) on the sensitivity and selectivity of gas sensing. The theory is based on density functional theory (DFT) at the… read more here.
Keywords: gas; insight dopant; cluster; theoretical insight ... See more keywords
A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex
Sign Up to like & getrecommendations! Published in 2021 at "CrystEngComm"
DOI: 10.1039/d0ce01513j
Abstract: A heteronuclear cobalt(III)/potassium complex, [(L1)2Co2K(L2)2]I3 {where H2L1 = N,N-bis(3-ethoxysalicylidene)2,2-dimethyl-1,3-propanediamine and HL2 = 3-ethoxysalicylaldehyde}, has been synthesized and characterized by several analytical techniques including single crystal X-ray diffraction analysis. The I3− anions form discrete dimers in… read more here.
Keywords: solid state; anion; value; structure ... See more keywords
Theoretical insight into the CdS/FAPbI3 heterostructure: a promising visible-light absorber
Sign Up to like & getrecommendations! Published in 2021 at "New Journal of Chemistry"
DOI: 10.1039/d0nj04827e
Abstract: Metal halide perovskites have drawn considerable attention thanks to their excellent optoelectronic performances. However, further development has been severely hampered by their poor stability. Recently, it has been confirmed experimentally that the optical performance of… read more here.
Keywords: insight cds; theoretical insight; cds fapbi3; fapbi3 heterostructure ... See more keywords
Topological epidemic model: Theoretical insight into underlying networks.
Sign Up to like & getrecommendations! Published in 2020 at "Chaos"
DOI: 10.1063/5.0023796
Abstract: Although there are various models of epidemic diseases, there are a few individual-based models that can guide susceptible individuals on how they should behave in a pandemic without its appropriate treatment. Such a model would… read more here.
Keywords: model theoretical; topological epidemic; epidemic model; model ... See more keywords
Direct rate-constant measurements and theoretical insight into the mechanism of the reactions H + hexamethyldisiloxane and H + tetramethyldisiloxane*
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Physics"
DOI: 10.1080/00268976.2021.1963871
Abstract: Shock-tube experiments were conducted to determine rate-coefficient data of the H-atom abstraction reactions H + HMDSO (hexamethyldisiloxane) → H2 + HMDSO−H and H + TMDSO (tetramethyldisiloxane) → ... read more here.
Keywords: constant measurements; rate; measurements theoretical; rate constant ... See more keywords