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We report ab initio (LDA + U-sc) calculations of thermoelastic properties of ferric iron (Fe3+)- and aluminum (Al)-bearing bridgmanite (MgSiO3 perovskite), the main Earth forming phase, at relevant pressure and temperature conditions and compositions. Thre ...
Water oxidation is a key chemical reaction, central to both biological photosynthesis and artificial solar fuel synthesis strategies. Despite recent progress on the structure of the natural catalytic site, and on inorganic catalyst function, determining th ...
Homing endonucleases, such as I-DmoI, specifically recognize and cleave long DNA target sequences (∼20 bp) and are potentially powerful tools for genome manipulation. However, inefficient and off-target DNA cleavage seriously limits specific editing in com ...
This study presents a design strategy for Al-Mg-Si alloys to control natural aging. Recently, trace addition of Sn was shown to suppress natural aging for up to two weeks, which was explained by the strong trapping of vacancies to Sn atoms. Here we explore ...
The dependence of the lattice parameter on dopant concentration in Ce1-xMxO2 (M = Sn and Ti) solid solutions is not linear. A change towards a steeper slope is observed around x similar to 0.35, though the fluorite structure (space group Fm3m) is preserved ...
Aqueous,monoethanolamine (MEA) solution is commonly used for post-combustion carbon capture via chemical absorption. Extensive research has been carried out to characterize both uptake and release of carbon dioxide (CO2), with the aim of improving process ...
Organo-metal halide perovskites (OMHPs) are materials with attractive properties for optoelectronics. They made a recent introduction in the photovoltaics world by methylammonium (MA) lead triiodide and show remarkably improved charge separation capabiliti ...
We report on rapid halide exchange in metal halide perovskite of the general formula MAPbX(3) (X = Cl, Br, or I). We find that when the perovskite is infiltrated in a mesoscopic scaffold, halide substitution on the perovskite lattice is strikingly fast, be ...
Thermolysis of the nitride-bridged diuranium(IV) complex Cs{(-N)U(OSi((OBu)-Bu-t)(3))(3)} (1) showed that the bridging nitride behaves as a strong nucleophile, promoting N-C bond formation by siloxide ligand fragmentation to yield an imido-bridged sil ...
Spectroelectrochemical studies employing pulsed LED irradiation are used to investigate the kinetics of water oxidation on undoped dense bismuth vanadate (BiVO4) photoanodes under conditions of photoelectrochemical water oxidation and compare to those obta ...