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In this study, a protocol for synthesising beta-C2S using K2SO4 as a dopant has been reported. Quantitative X-Ray diffraction was used to characterise synthesised samples. It was observed that it is possible to synthesise beta-C2S with high purity (>96 wt% ...
Organocatalysis has evolved significantly over the last decades, becoming a pillar of synthetic chemistry, but traditional theoretical approaches based on quantum mechanical computations to investigate reaction mechanisms and provide rationalizations of ca ...
Realizing a hydrogen economy strongly requires alkaline water electrolysis to achieve large-scale generation of H2, but lacks stable and efficient catalysts. The insufficient active sites in Ni(OH)2 impair the catalytic performance of alkaline HER. Herein, ...
Recent state-to-state experiments of methane scattering from Ni(111) and graphene-covered Ni(111) combined with quantum mechanical simulations suggest an intriguing correlation between the surface-induced vibrational energy redistribution (SIVR) during the ...
In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...
Starting from our big universe to the microscopic world, phase transitions play an important role in nature. Just after the Big Bang our universe experienced multiple phase transitions, from high-temperature plasma to the matter we know today.Phase transit ...
This paper presents a new process for additively manufacturing purely metallic antennas based on Fused Deposition Modeling (FDM), with a proprietary filament developed using a hot extrusion method and composed by a mix of rounded shape copper powders with ...
The soluble fraction of atmospheric transition metals is particularly associated with health effects such as reactive oxygen species compared to total metals. However, direct measurements of the soluble fraction are restricted to sampling and detection uni ...
Detecting and quantifying marine pollution and macroplastics is an increasingly pressing ecological issue that directly impacts ecology and human health. Here, remote sensing can provide reliable estimates of plastic pollution by regularly monitoring and d ...
We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...
