Light–matter interaction not only plays an instrumental role in characterizing materials'
properties via various spectroscopic techniques but also provides a general strategy to …

Metal–organic frameworks (MOFs) as photocatalysts and photocatalyst supports combine
several advantages of homogeneous and heterogeneous catalyses, including stability, post …

Determining the influence of the solvent on electrochemical reaction energetics is a central
challenge in our understanding of electrochemical interfaces. To date, it is unclear how well …

We have calculated state-averaged complete-active-space self-consistent-field (SA-
CASSCF), multiconfiguration pair-density functional theory (MC-PDFT), hybrid MC-PDFT …

Graphitic carbon nitride (GCN) has attracted significant attention due to its excellent
performance in photocatalytic applications. Non-metal do** of GCN has been widely used …

Multiconfiguration pair-density functional theory (MC-PDFT) is a post-SCF multireference
method that has been successful at computing ground-and excited-state energies. However …

Metal–organic frameworks (MOFs) are a class of materials that have a tunable porous
structure and an ultrahigh surface area, which are quite active in photocatalytic water …

Graphitic carbon nitride (gC 3 N 4), a metal-free and visible light responsive photocatalyst,
has garnered much attention due to its wide range of applications. In order to elucidate the …

Recent experiments showed that some layered ternary transition metal trichalcogenide
compounds are efficient catalysts for the hydrogen evolution reaction (HER). Motivated by …

Polariton chemistry, otherwise named molecular polaritonics, is a very recent research field
exploiting the effects of strong coupling interaction on the chemistry of an emitter, which …