1.
Dalton Trans
; 49(31): 11005-11009, 2020 Aug 11.
Article
in English
| MEDLINE
| ID: mdl-32729609
ABSTRACT
Two heterometal-oxo Ag2Ti10 (PTC-221) and Ag4Ti8 (PTC-222) clusters were successfully synthesized and characterized, with the doped Ag atoms surrounded by the Ti-O core and exposed to the cluster surface, respectively. Density functional theory (DFT) calculations were carried out to study the electronic structures of PTC-221 and PTC-222, including the frontier orbitals and partial density of states (PDOS). The solid-state UV-vis absorption spectra of PTC-221 and PTC-222 were also recorded. Interestingly, PTC-221 shows intense visible light absorption with an absorption edge around 590 nm and exhibits good photocurrent response in the visible region.