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Now showing items 101-142 of 142
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Aluminium zinc oxide (AZO) is a promising transparent conductive oxide this is difficult to fabricate by metal-organic chemical vapour deposition (MOCVD) because of prereactions between the precursors for Al and oxygen. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The Seoul Metropolitan Area (SMA) has a population of 24 million and frequently experiences unhealthy levels of ozone (O3). In this work, measurements taken during the Korea-United States Air Quality Study (KORUS-AQ, 2016) ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Subtle changes in the atomic arrangement of NiTiO3 in the ilmenite structure affects its symmetry and properties. At high temperatures, the cations are randomly distributed throughout the structure, resulting in the corundum ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The spin ice materials Ho2Ti2O7 and Dy2Ti2O7 are experimental and theoretical exemplars of highly frustrated magnetic materials. However, the effects of applied uniaxial pressure are not well studied, and here we report ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The layered oxide Na2Zn2TeO6 is a fast Na+ ion conductor and a suitable candidate for application as a solid-state electrolyte. We present a detailed study on how synthesis temperature and Na-content affect the crystal ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Here, we report the synthesis and magnetic properties of a novel, centrosymmetric, quasi-1D spin chain system La3VWS3O6, with hexagonal crystal structure (P63/m, a = 9.460 76(3), c = 5.518 09(2) Å). Pure powders were ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Atmospheric concentration of legacy (LFRs) and emerging flame retardants (EFRs) including 8 polybrominated diphenyl ethers (PBDEs), 6 novel brominated flame retardants (NBFRs), 2 dechlorane plus isomers (DP), and 8 chlorinated ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Homogeneous catalysis using transition metal complexes is ubiquitously used for organic synthesis, as well as technologically relevant in applications such as water splitting and CO2 reduction. The key steps underlying ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Clarithromycin and congeners are important antibacterial members of the erythromycin A 14-membered macrocyclic lactone family. The macrolide scaffold consists of a multifunctional core that carries both chemically reactive ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Plasmon-enhanced harvesting of photons has contributed to the photochemical conversion and storage of solar energy. However, high dependence on noble metals and weak coupling in heterostructures constrain the progress ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
We investigate and prove Lieb–Oxford bounds in one dimension by studying convex potentials that approximate the ill-defined Coulomb potential. A Lieb–Oxford inequality establishes a bound of the indirect interaction energy ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The direct conversion of methane to methanol has the potential of substantially reducing methane emissions and flaring, as such a process might provide an alternative for remote natural gas locations. In this report, we ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Small pore zeolites have shown great potential in a number of catalytic reactions. While Mo-containing medium pore zeolites have been widely studied for methane dehydroaromatisation (MDA), the use of small pore supports ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Isocyanic acid (HNCO) is a potentially toxic atmospheric pollutant, whose atmospheric concentrations are hypothesized to be linked to adverse health effects. An earlier model study estimated that concentrations of isocyanic ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The San Joaquin Valley (SJV) of California has one of the nation's most severe wintertime PM2.5 pollution problems. The DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Using a facile one-pot colloidal method, it is now possible to obtain monodisperse Co1−xRex nanoparticles (NPs), with excellent control of Re stoichiometry for x < 0.15. Re-incorporation in terms of a solid solution ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Gold catalysis has become one of the fastest growing fields in chemistry, providing new organic transformations and offering excellent chemoselectivities under mild reaction conditions. Methodological developments have ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We report the transition metal quantum mechanics (tmQM) data set, which contains the geometries and properties of a large transition metal–organic compound space. tmQM comprises 86,665 mononuclear complexes extracted from ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
The NMR chemical shift has been the most versatile marker of chemical structures, by reflecting global and local electronic structures, and is very sensitive to any change within the chemical species. In this work, Ru(II) ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Coke formation is a major reason in deactivation of acidic zeolite catalysts in industrial processes such as methanol to hydrocarbons conversion. Protecting the surface of acidic zeolite with an inert porous shell can ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The magnetic properties of iron chalcogenides and pnictides have found much interest as magnetic fluctuations are suggested to drive the formation of Cooper pairs in iron-based superconductors. Here, we have studied the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
2‐Nitrophenylboronic acids serve as interesting starting materials for the construction of biphenyl‐ and terphenyl‐based amines if subjected to the Suzuki–Miyaura reaction. Unfortunately, these boronic acids suffer from ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Experimental and kinetic analysis of a chemical system combines autocatalytic amplification of 2‐alkynyl‐5‐pyrimidyl alkanol 2 and 6‐alkynyl‐3‐pyridyl akanol 4 in which 2 acts as a chiral trigger and 4 being the subsequent ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We show how an existing concurrent multi-scale method named hybrid particle field-molecular dynamics (hPF-MD) can be adapted to enable the simulation of structure and/or structural dynamics in compressible systems. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
A cationic nickel complex of the bis(8-quinolyl)(3,5-di-tert-butylphenoxy)phosphine (NPN) ligand, [(NPN)NiCl]+, is a precursor to efficient catalysts for the hydrosilation of alkenes with a variety of hydrosilanes under ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The use of silicon (Si) in the form of nanoparticles is one of the most promising routes for boosting the capacity of modern Li‐ion batteries. Many parameters influence the performance of Si making the comparison of materials ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The application of double perovskite cobaltites BaLnCo2O6−δ (Ln = lanthanide element) in electrochemical devices for energy conversion requires control of their properties at operating conditions. This work presents a study ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
A state-specific multireference coupled-cluster (MRCC) method based on Arponen’s bivariational principle is presented, the bivar-MRCC method. The method is based on single-reference theory and therefore has a relatively ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Four isostructural CPO‐54‐M metal‐organic frameworks based on the larger organic linker 1,5‐dihydroxynaphthalene‐2,6‐dicarboxylic acid and divalent cations (M=Mn, Mg, Ni, Co) are shown to be isoreticular to the CPO‐27 ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
The association in aqueous mixtures of a thermoresponsive cationic diblock copolymer composed of poly(N-isopropylacrylamide) (PNIPAM) and poly(3-acrylamidopropyl)-trimethylammonium-chloride (PAMPTMA(+)) and the oppositely ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
1H NMR spectroscopy has become an important technique for the characterization of transition-metal hydride complexes, whose metal-bound hydrides are often difficult to locate by X-ray diffraction. In this regard, the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Mixtures of amphiphilic polymers and surfactants are used in a wide range of applications, e.g., pharmaceuticals, detergents, cosmetics, and drug delivery systems. Still, many questions remain on how the structure and, in ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
Lanthanum doped strontium titanate is a potential n-type thermoelectric material at moderate and high temperatures. (La0.12Sr0.88)0.95TiO3 ceramics were prepared by two different routes, conventional sintering at 1500 °C ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Ethyl(hydroxyethyl) cellulose (EHEC) is known to form reversible hydrogels in water at elevated temperatures in the presence of an ionic surfactant. However, the toxicity of common ionic surfactants (like SDS and CTAB) ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
In vitro derived simplified 3D representations of human organs or organ functionalities are predicted to play a major role in disease modeling, drug development, and personalized medicine, as they complement traditional ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
In this work we benefited from recent advances in tools for crystal‐structure analysis that enabled us to describe an exotic nanoscale phenomenon in structural chemistry. The Mn0.60Ni0.40As sample of the Mn1−xNixAs solid ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Amorphous silicon nanoparticles were synthesized through pyrolysis of silane gas at temperatures ranging from 575 to 675 °C. According to the used temperature and silane concentration, two distinct types of particles can ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
We demonstrate theoretically and numerically that laser-driven many-electron dynamics, as described by bivariational time-dependent coupled-cluster theory, may be analyzed in terms of stationary-state populations. Projectors ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Low G+C Gram-positive Firmicutes, such as the clinically important pathogens Staphylococcus aureus and Bacillus cereus, use the low-molecular weight thiol bacillithiol (BSH) as a defense mechanism to buffer the intracellular ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Hydrogen is essential in a variety of large-scale chemical processes. As a carbon-free energy carrier, hydrogen has a potential for wide use within power production and transportation. However, most of the recent production ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Self-assembly of amphiphilic polymers into micelles is an archetypical example of a “self-confined” system due to the formation of micellar cores with dimensions of a few nanometers. In this work, we investigate the chain ...