Effects of ligand functionalization on the photocatalytic properties of titanium-based MOF: A density functional theory study
Author(s) -
Yi Li,
Yuqing Fu,
BiLian Ni,
Kaining Ding,
Wenkai Chen,
Kechen Wu,
Xin Huang,
Yongfan Zhang
Publication year - 2018
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.5021098
Subject(s) - photocatalysis , density functional theory , band gap , water splitting , adsorption , molecule , linker , ligand (biochemistry) , functional group , surface modification , materials science , valence (chemistry) , photocatalytic water splitting , photochemistry , visible spectrum , chemistry , titanium , computational chemistry , catalysis , optoelectronics , organic chemistry , composite material , polymer , biochemistry , receptor , computer science , operating system
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