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Photoelectrochemical (PEC) cells are attractive for storing solar energy in chemical bonds through cleaving of water into oxygen and hydrogen. Although hematite (alpha-Fe2O3) is a promising photoanode material owing to its chemical stability, suitable band ...
The formation of undesired high molecular weight species such as dimers is an important quality attribute for therapeutic monoclonal antibody formulations. Therefore, the thorough understanding of mAb dimerization and the detailed characterization mAb dime ...
The training of molecular models of quantum mechanical properties based on statistical machine learning requires large data sets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of training examples is o ...
The use of mixed-linker metal-organic frameworks (MIXMOFs) is one of the most effective strategies to modulate the physical-chemical properties of MOFs without affecting the overall crystal structure. In many instances, MIXMOFs have been recognized as soli ...
Global production rates of metals vary from iron at 1.4 billion ton per year to platinum with 200 ton per year. Resource scarcity starts to manifest itself in rising prices and supply limitations, and metal substitution has been a major argument among econ ...
Determining the stability ofmolecules and condensed phases is the cornerstone of atomisticmodeling, underpinning our understanding of chemical andmaterials properties and transformations. We show that amachine-learningmodel, based on a local description of ...
Nanoscopic and microscopic water droplets and ice crystals embedded in liquid hydrophobic surroundings are key components of aerosols, rocks, oil fields and the human body. The chemical properties of such droplets critically depend on the interfacial struc ...
Metal based anti-cancer drugs (metallodrugs) such as cisplatin are a cornerstone of cancer chemotherapy. However, development of this class of compound has been hindered by our lack of understanding of how they function. This is mainly because existing met ...
Liquid complex hydrides are a new class of hydrogen storage materials with several advantages over solid hydrides, e.g. they are flexible in shape, they are a flowing fluid and their convective properties facilitate heat transport. The physical and chemica ...
Femtosecond pulses used in the regime where self-organized patterns are found have two noticeable effects in amorphous silica's (a-SiO2) optical and chemical properties: The decrease of the material's refractive index as well as an enhanced etching selecti ...