In the dry reforming of methane in an electric field, the reaction between CH4 molecules and surface oxygen was promoted at the interface between Pt and CeO2.
Low-cost carbon dioxide (CO2) capture technologies have been studied widely. Among such technologies, the control of CO2 adsorption by application of an electric field to solid materials has been shown...
Quantum annealing
has been used to predict molecular adsorption
on solid surfaces. Evaluation of adsorption, which takes place in
all solid surface reactions, is a crucially important subject for
study in various fields. However, predicting the most stable coordination
by theoretical calculations is challenging for multimolecular adsorption
because there are numerous candidates. This report presents a novel
method for quick adsorption coordination searches using the quantum
annealing principle without combinatorial explosion. This method exhibited
much faster search and more stable molecular arrangement findings
than conventional methods did, particularly in a high coverage region.
We were able to complete a configurational prediction of the adsorption
of 16 molecules in 2286 s (including 2154 s for preparation, only
required once), whereas previously it has taken 38 601 s. This
approach accelerates the tuning of adsorption behavior, especially
in composite materials and large-scale modeling, which possess more
combinations of molecular configurations.
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