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Electrosorption of solvated species at metal electrodes is a most fundamental class of processes in interfacial electrochemistry. Here, we use its sensitive dependence on the electric double layer to assess the performance of ab initio thermodynamics appro ...
Synthesis gas, composed of H-2 and CO, is an important fuel which serves as feedstock for industrially relevant processes, such as methanol or ammonia synthesis. The efficiency of these reactions depends on the H-2 : CO ratio, which can be controlled by a ...
Understanding light-induced processes in biological and human-made molecular systems is one of the main goals of physical chemistry. It has been known for years that the photoinduced dynamics of atomic nuclei can be studied by looking at the vibrational su ...
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic-scale structure of matter and its properties, involves transforming the Cartesian coordinates of the atom ...
Chemical reaction dynamics are studied to monitor and understand the concerted motion of several atoms while they rearrange from reactants to products. When the number of atoms involved increases, the number of pathways, transition states and product chann ...
Despite the development of hydrogels with a wide range of mechanical properties, insufficient adhesion between these materials and biological surfaces limits their use in the biomedical applications. Most recent advancements in highly adhesive hydrogel sys ...
Lead halide perovskite quantum dots (PQDs), also called perovskite nanocrystals, are considered as one of the most promising classes of photovoltaic materials for solar cells due to their prominent optoelectronic properties and simple preparation technique ...
Today, Magnetic Resonance Imaging (MRI) is a well-established medical imaging modality thanks to its excellent soft tissue contrast. Conventional MR image contrasts can be weighted towards one or more physical properties that discriminate different tissues ...
At the outermost surface of colloidal QDs are organic surface ligands which dynamically bind and release in solution to control the growth kinetics, control the size/shape of the crystals, passivate surface states, and provide colloidal stability through f ...
By analogy to heat and mass transfer film theory, a general approach is introduced for determining hyperpolarization transfer rates between dilute electron spins and a surrounding nuclear ensemble. These analyses provide new quantitative relationships for ...
