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Browsing Greinar- HÍ by Subject "Efnafræði"
Now showing items 1-17 of 17
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(Springer Nature, 2017-09-20)Understanding how edge misfit dislocations (MDs) form in a GeSi/Si(001) film has been a long standing issue. The challenge is to find a mechanism accounting for the presence of these dislocations at the interface since they are not mobile and cannot ... -
(Wiley, 2020-01-16)(Coumarin-4-yl)methyl (c4m) and p-hydroxyphenacyl (pHP)-based compounds are well known for their highly efficient photoreactions, but often show limited solubility in aqueous media. To circumvent this, we synthesized and characterized the two new c4m ...
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(Royal Society of Chemistry (RSC), 2022-03-30)Motivated by the use of tetrakis(dimethylamino)silane (TKDMAS) to produce silicon nitride-based deposits and its potential as a precursor for Focused Electron Beam Induced Deposition (FEBID), we have studied its reactivity towards low energy electrons ...
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(Wiley, 2021-03-25)Oxytocin is a cyclic nonapeptide used to induce labor and prevent bleeding after childbirth. Due to its instability, storage and transport of oxytocin formulations can be problematic in hot/tropical climates. The aim of this study was to investigate ...
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(Beilstein Institut, 2017-11-10)We present first experiments on electron beam induced deposition of silacyclohexane (SCH) and dichlorosilacyclohexane (DCSCH) under a focused high-energy electron beam (FEBID). We compare the deposition dynamics observed when growing pillars of high ...
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(Beilstein Institut, 2018-02-14)In the current contribution we present a comprehensive study on the heteronuclear carbonyl complex H2FeRu3(CO)13 covering its low energy electron induced fragmentation in the gas phase through dissociative electron attachment (DEA) and dissociative ...
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(American Chemical Society (ACS), 2021-03-25)Fragmentation of transient negative ions of tryptophan molecules formed through electron transfer in collisions with potassium atoms is presented for the first time in the laboratory collision energy range of 20 up to 100 eV. In the unimolecular ...
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(Beilstein Institut, 2019-09-17)Multilayer structures comprising of SiO2/SiGe/SiO2 and containing SiGe nanoparticles were obtained by depositing SiO2 layers using reactive direct current magnetron sputtering (dcMS), whereas, Si and Ge were co-sputtered using dcMS and high-power impulse ...
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(Royal Society of Chemistry (RSC), 2017)In single electron collisions with the heteronuclear metal carbonyl compound HFeCo3(CO)12 we observe the formation of long-lived negative ion states up to about 20 eV, 11 eV above its ionization energy. These transient negative ions (TNIs) relax through ...
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(Wiley, 2020-01-21)Using density functional theory, we studied the bulk and surface properties of Li and Na electrodes on an atomistic level. To get a better understanding of the initial stages of surface growth phenomena (and thus dendrite formation), various self-diffusion ...
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(Royal Society of Chemistry (RSC), 2019-10-15)Molybdenum nitrogenase is one of the most intriguing metalloenzymes in nature, featuring an exotic iron-molybdenum-sulfur cofactor, FeMoco, whose mode of action remains elusive. In particular, the molecular and electronic structure of the N2-binding ...
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(IOP Publishing, 2017-03-27)We apply particle-in-cell simulations with Monte Carlo collisions to study the influence of the singlet metastable states on the ion energy distribution in single and dual frequency capacitively coupled oxygen discharges. For this purpose, the ...
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(American Chemical Society (ACS), 2017-07-21)Here we present a combined experimental and theoretical study on the fragmentation of o- and p-tetrafluorohydroquinone upon low energy electron attachment. Despite an identical ring-skeleton and identical functional groups in these constitutional ...
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(Royal Society of Chemistry (RSC), 2018)A new 1.2 Å crystal structure of vanadium nitrogenase, isolated under turnover conditions, recently revealed a light atom ligand (OH or NH) replacing the bridging S2B sulfide of the FeV cofactor. QM/MM calculations on the new structure now reveal the ...
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(CSIRO Publishing, 2023)Environmental context. Arsenic contamination has a disproportionate effect on marine ecosystems. Organisms such as some marine macroalgae, which accumulate potentially toxic elements from the surrounding environment, have developed an internal conversion ...
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(MDPI AG, 2019-09-25)The factors affecting the self-assembly process in low molecular weight gelators (LMWGs) were investigated by tuning the gelation properties of a well-known gelator N-(4-pyridyl)isonicotinamide (4PINA). The N—H···N interactions responsible for gel ...
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(Royal Society of Chemistry (RSC), 2020-06)A direct optimization method for obtaining excited electronic states using density functionals is presented. It involves selective convergence on saddle points on the energy surface representing the variation of the energy as a function of the electronic ...
Now showing items 1-17 of 17