Van der Waals heterostructures composed of two-dimensional transition-metal dichalcogenides layers show great potential for atomically thin optoelectronic a
Dissociative chemisorption of CO2 on the metal has attracted an increasing interest in recent years thanks to its importance in CO2 reduction and activation
The second(B)photoabsorption band of H2O in the vacuum ultraviolet(VUV)region emerges from 140 nm with a number of nearly equidistant osci llation structure
Artificial neural networks(ANNs)have been widely used to fit the potential energy surface.Levenberg-Maquard(LM)algorithm is a powerful neural network traini
Alkenes are not only important components of realistic fuels,but also important intermediates during combustion processes for all hydrocarbon and many alter
Quantum chemistry calculations and thermodynamics methods were carried out to screen out novel high energy density materials(HEDMs)from several new derivati