相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Surface and subsurface oxygen vacancies in anatase TiO2 and differences with rutile
Hongzhi Cheng et al.
PHYSICAL REVIEW B (2009)
Evidence for the Predominance of Subsurface Defects on Reduced Anatase TiO2(101)
Yunbin He et al.
PHYSICAL REVIEW LETTERS (2009)
Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA plus U, and hybrid DFT calculations
Emanuele Finazzi et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Effect of on-site Coulomb repulsion term U on the band-gap states of the reduced rutile (110) TiO2 surface
Carmen J. Calzado et al.
PHYSICAL REVIEW B (2008)
Ab initio study of the electronic states induced by oxygen vacancies in rutile and anatase TiO2
G. Mattioli et al.
PHYSICAL REVIEW B (2008)
Defect states at the TiO2(110) surface probed by resonant photoelectron diffraction
P. Krueger et al.
PHYSICAL REVIEW LETTERS (2008)
Insights into current limitations of density functional theory
Aron J. Cohen et al.
SCIENCE (2008)
Energetics of oxygen vacancies at rutile TiO2 (110) surface
T. Pabisiak et al.
SOLID STATE COMMUNICATIONS (2007)
A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
Benjamin J. Morgan et al.
SURFACE SCIENCE (2007)
Imaging intrinsic diffusion of bridge-bonded oxygen vacancies on TiO2(110)
Zhenrong Zhang et al.
PHYSICAL REVIEW LETTERS (2007)
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
M. Veronica Ganduglia-Pirovano et al.
SURFACE SCIENCE REPORTS (2007)
Diffusion mechanisms of native point defects in rutile TiO2:: Ab initio total-energy calculations
Hakim Iddir et al.
PHYSICAL REVIEW B (2007)
Comparison of the electronic structure of anatase and rutile TiO2 single-crystal surfaces using resonant photoemission and x-ray absorption spectroscopy
A. G. Thomas et al.
PHYSICAL REVIEW B (2007)
Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces
Cristiana Di Valentin et al.
PHYSICAL REVIEW LETTERS (2006)
Surface science studies of the photoactivation of TiO2-new photochemical processes
Tracy L. Thompson et al.
CHEMICAL REVIEWS (2006)
Influence of surface and subsurface defects on the behavior of the rutile TiO2(110) surface
K. Hameeuw et al.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE (2006)
First-principles study of native defects in anatase TiO2
S Na-Phattalung et al.
PHYSICAL REVIEW B (2006)
Characterization of paramagnetic species in N-doped TiO2 powders by EPR spectroscopy and DFT calculations
C Di Valentin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Adsorption, diffusion, and dissociation of molecular oxygen at defected TiO2(110):: A density functional theory study
MD Rasmussen et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Oxygen vacancies on TiO2 (110) from first principles calculations
J Oviedo et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
One step towards bridging the materials gap:: surface studies of TiO2 anatase
U Diebold et al.
CATALYSIS TODAY (2003)
Composition and structure of the RuO2(110) surface in an O2 and CO environment:: Implications for the catalytic formation of CO2 -: art. no. 045407
K Reuter et al.
PHYSICAL REVIEW B (2003)
Experimental investigation of the interaction of water and methanol with anatase-TiO2(101)
GS Herman et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Structure and energetics of stoichiometric TiO2 anatase surfaces -: art. no. 155409
M Lazzeri et al.
PHYSICAL REVIEW B (2001)
Scanning tunneling microscopy investigation of the TiO2 anatase (101) surface
W Hebenstreit et al.
PHYSICAL REVIEW B (2000)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
