The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...
The electrochemical CO2 reduction reaction (CO2RR) is envisioned to play a significant role in achieving carbon neutrality while contributing to storing renewable energies. Cu-based materials are among the most promising electrocatalysts. However, 16 diffe ...
Rational design of non-noble metal electrocatalysts with high intrinsic activity for both the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is extremely impressive for sustainable electrocatalytic water splitting systems. However, i ...
Efficient electro-catalytic water-splitting technologies require suitable catalysts for the oxygen evolution reaction (OER). The development of novel catalysts could benefit from the achievement of a complete understanding of the reaction mechanism on irid ...
Among the perovskites used to catalyze the oxygen evolution reaction (OER), Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) exhibits excellent activity which is thought to be related to dynamic reconstruction at the flexible perovskite surface due to accommodation of ...
Water splitting offers the opportunity for storing solar energy and, thus, producing carbon-neutral and renewable solar fuels. The process, known as artificial photosynthesis, is limited by the electrocatalytic conversion of water into molecular oxygen. El ...
Molecular understanding of the electrochemical oxidation of metals and the electro-reduction of metal oxides is of pivotal importance for the rational design of catalyst-based devices where metal(oxide) electrodes play a crucial role. Operando monitoring a ...
Photoelectrochemical water splitting is a promising source of clean, renewable fuel in the form of hydrogen. Despite extensive research endeavors, the widespread adoption of this technology is impeded due to suboptimal catalysts for the oxygen evolution re ...
Designing cost-effective electrocatalysts for electrochemical water splitting to generate the hydrogen energy as a future energy source is pivotal. An excellent catalyst should show high catalytic activity for both hydrogen evolution reaction (HER) and oxy ...
The bifunctional mechanism for the oxygen evolution reaction (OER) involving two distinct reaction sites is studied through the computational hydrogen electrode method for a set of catalyst materials including rutile TiO2(110), anatase TiO2(101), SnO2(110) ...
During the last decades, intensive efforts have been applied to tackle the enormous emissions of CO2 into atmosphere. These efforts include not only developing efficient carbon capture techniques, but also the introduction of new ways to transform the capt ...
