The production of valuable aromatics and the rapid catalyst deactivation due to coking are
intimately related in the zeolite-catalyzed aromatization reactions. Here, we demonstrate that …

Recycling CO2 back to fuels offers an ideal solution to control anthropogenic global CO2
emissions as well as providing a sustainable green solution to alternative energy resources …

We have developed an actor–critic-type policy-based reinforcement learning (RL) method to
find low-energy nanoparticle structures and compared its effectiveness to classical basin …

A theoretical study was developed to investigate the stability, magnetic, energetic, and
reactivity properties of icosahedral Pd and M@ Pd 12 (M= Fe, Co, Ni, and Cu) core-shell …

Electronic structure computations of pure Pd and Pd-based core–shell clusters were studied
employing auxiliary density functional theory (ADFT). For this investigation icosahedral …

The structures of the Sc2Ge6− cluster and its CO adsorption have been computational
investigated. The density functional theory and couple cluster calculation are used to gether …

Recent investigations reported in the open literature concerning the functionalization of
graphene as a support material for transition metal nanoparticle catalysts have examined …

Wireless sensor networks (WSNs) have experienced enormous growth, both in terms of the
technology used and their practical applications. In order to understand the features of …

Recent literature results have highlighted the role of small transition metal and intermetallic
nanoparticles supported on graphene as catalysts for many key applications in energy and …

Tóm tắt The structures of the ScGe 5 cluster were investigated by a combination of the
genetic algorithm (GA) with the density functional theory (DFT) calculations. The structural …