Open AccessAb initio design of light absorption through silver atomic cluster decoration of TiO2
Author(s) -
María Pilar de LaraCastells,
C. Cabrillo,
David A. Micha,
Alexander Mitrushchenkov,
Tijo Vazhappilly
Publication year - 2018
Publication title -
physical chemistry chemical physics/pccp. physical chemistry chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.053
H-Index - 239
eISSN - 1463-9084
pISSN - 1463-9076
DOI - 10.1039/c8cp02853b
Subject(s) - ab initio , cluster (spacecraft) , absorption (acoustics) , ab initio quantum chemistry methods , atomic absorption spectroscopy , atomic physics , materials science , molecular physics , chemistry , computational chemistry , chemical physics , nanotechnology , physics , optics , molecule , quantum mechanics , computer science , organic chemistry , programming language
This first-principles study reveals how stable subnanometer silver clusters on a TiO 2 (110) surface lead to the onset of absorption bands in the near-infrared and visible regions.