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We have witnessed a wide range of theoretical as well as experimental investigations to envisage external stimuli induced changes in electronic, optical and magnetic properties in the metal organiccomplexes, while hybrid perovskites have recently joined th ...
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 ...
The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...
We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox. This code can account for strongly correlate ...
Metal oxide deposition is an emerging synthetic technique for designing heterogeneous catalysts. Depositing a nanoscale overcoat of metal oxide on heterogeneous catalysts can modify their structural and chemical characteristics. Many deposition approaches, ...
Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...
For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...
In order to study the influence of itinerant electrons on magnetic properties of transition metal substituted ZnO nanocrystals, nanopowders containing different amounts of Ga and fixed amounts of Fe, Ni and Mn ions were synthesized. The ions of different t ...
Tuning the magnetic behavior of nanoparticles via the control of their features has always been challenging because these features are mostly intertwined. In the last years, a novel synthetic approach based on cation-exchange has been reported, and one of ...
We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect ...