67 citations · 154 across the 5 of their papers we have counts for
5 papers
Photocatalytic Behavior of Fluorinated Rutile TiO(110) Surface: Understanding from the Band Model
Huimin Gao, Daoyu Zhang, Minnan Yang +1
Surface fluorination of TiO (F-TiO) has complicate photocatalytic behavior in degradation of organic compounds. This work attempts to establish an elegant scenario based on…
Translating XPS Measurement Procedure for Band Alignment into Reliable Ab-initio Calculation Method
Daoyu Zhang, Minnan Yang, Huimin Gao +1
Band alignment between solids is a crucial issue in condensed matter physics and electronic devices. Although the XPS method has been used as a routine method for determination of…
Electric-Dipole Effect of Defects on Energy Band Alignment of Rutile and Anatase TiO2
Daoyu Zhang, Minnan Yang, Shuai Dong
Titanium dioxide materials have been studied intensively and extensively due to photocatalytic applications. A long-standing open question is the energy band alignment of rutile an…
Improving photocatalytic activity of TiO through reduction
Daoyu Zhang, Minnan Yang, Shuai Dong
The rutile TiO (110) surface reduced by the bridging oxygen vacancy, bridging hydroxyl group or Ti interstitial atom has been investigated by calculating their electronic struc…
Hydroxylation of Rutile TiO (110) Surface Enhancing Its Reducing Power for Photocatalysis
Daoyu Zhang, Minnan Yang, Shuai Dong
Hydroxylation of the rutile TiO (110) surface has attracted much attention as the excess unpaired electrons introduced by hydroxyls play a critical role in surface chemistry an…