2 papers
cond-mat.mtrl-sci2021
Density functional theory study of the structural, electronic, and surface reaction properties of bismuth vanady1 oxyhalide BiVO3F
Taifeng Liu*, Tongling Liu, Yongqiang Zheng
BiVO3F is a promising material used in solar energy conversion systems. Here, we first report the calculated structural, electronic, and surface reaction properties using PBE and h…
physics.comp-ph2021
Charge Carrier Transport Mechanism in Ta2O5, TaON and Ta3N5 Studied by Polaron Hopping and Bandlike Models
Qianyu Zhao, Mengsi Cui, Taifeng Liu
TaON and Ta3N5 are considered promising materials for photocatalytic and photoelectrochemical water splitting. But their counterpart Ta2O5 does not have good photocatalytic perform…