Theory-guided development of homogeneous catalysts for the reduction of CO2 to formate, formaldehyde, and methanol derivatives
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The hydrogenation of carbon dioxide to formate is an intriguing reaction from both an environmental and an energy perspective, primarily due to the prospective uses of the product as a platform chemical in numerous applications such as an organic hydrogen ...
The synthesis of a set of cobalt(III)-complexes equipped with trisubstituted chiral cyclopentadienyl ligands is reported, and their steric and electronic parameters are mapped. The application potential of these complexes for asymmetric C-H functionalizati ...
The valorization of carbon dioxide and its transformation into useful chemicals is essential as mankind consumes more and more fossil fuels, thus producing equivalent wastes. The storage of hydrogen, a promising energy carrier, is also of great interest in ...
We report the first Ni MOF catalysts for anti-Markovnikov hydrosilylation of alkenes. These catalysts are bench-stable and easily-assembled from simple Ni salts and carboxylic acids. The best catalyst gives turnover numbers up to 9500 and is robust even af ...
Our current energy production is convenient and simple, but it is not sustainable. The negative impacts on our environment are omnipresent in the form of smog, extinction of species, and global warming. A major challenge of our generation is the transition ...
The application of modern machine learning to challenges in atomistic simulation is gaining attraction. We present new machine learning models that can predict the energy of the oxidative addition process between a transition metal complex and a substrate ...
RSC2018
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Owing to the problems associated with the use of urea as an ammonia precursor compound in the selective catalytic reduction process in automobiles, alternative compounds such as ammonium formate, methanamide, and guanidinium formate have been suggested as ...
Academic Press Inc Elsevier Science2017
Rising level of carbon dioxide (CO2) is a significant contributor to global warming and poses a major concern in modern society and environment. Anthropogenic activities such as fossil fuel combustion, cement production and deforestation are the primary ca ...
EPFL2018
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Catalytic lignosulfonate valorization is hampered by the in situ liberation of sulfur that ultimately poisons the catalyst. To overcome this limitation, metal sulfide catalysts were developed that are able to cleave the C-O bonds of lignosulfonate and are ...
The use of formate-based ammonia precursors as alternatives to urea in the selective catalytic reduction (SCR) process requires that formic acid released upon their thermolysis in the hot exhaust is rapidly decomposed to carbon dioxide. This work aims at t ...