Structural Properties of NdTiO_2+xN_1-x and Its Application as Photoanode.

ABSTRACT: Mixed-anion inorganic compounds offer diverse functionalities as a function of the different physicochemical characteristics of the secondary anion. The quaternary metal oxynitrides, which originate from substituting oxygen anions (O^2-) in a parent oxide by nitrogen (N^3-), are encouraging candidates for photoelectrochemical (PEC) water splitting because of their suitable and adjustable narrow band gap and relative negative conduction band (CB) edge. Given the known photochemical activity of LaTiO₂N, we investigated the paramagnetic counterpart NdTiO_2+xN_1-x. The electronic structure was explored both experimentally and theoretically at the density functional theory (DFT) level. A band gap (E_g) of 2.17 eV

SUBMITTER: Ma Z 

PROVIDER: S-EPMC7884013 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature