4.6 Article

Composition, structure, and stability of the rutile TiO2(110) surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption

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。
Article Chemistry, Physical

Diffusion versus desorption:: Complex behavior of H atoms on an oxide surface

X. -L. Yin et al.

CHEMPHYSCHEM (2008)

Article Multidisciplinary Sciences

The role of interstitial sites in the Ti3d defect state in the band gap of Titania

Stefan Wendt et al.

SCIENCE (2008)

Article Physics, Condensed Matter

Energetics of oxygen vacancies at rutile TiO2 (110) surface

T. Pabisiak et al.

SOLID STATE COMMUNICATIONS (2007)

Article Chemistry, Physical

First-principles calculations of hydrogen diffusion on rutile TiO2(110) surfaces

Seiji Kajita et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Chemistry, Physical

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)

Article Physics, Multidisciplinary

Growth of one-dimensional Pd nanowires on the terraces of a reduced SnO2(101) surface

Khabibulakh Katsiev et al.

PHYSICAL REVIEW LETTERS (2007)

Article Chemistry, Multidisciplinary

F centers versus dimer vacancies on ZnO surfaces: Characterization by STM and STS calculations

Roman Kovacik et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)

Article Physics, Multidisciplinary

Electronic structure of defect states in hydroxylated and reduced rutile TiO2(110) surfaces

Cristiana Di Valentin et al.

PHYSICAL REVIEW LETTERS (2006)

Article Materials Science, Multidisciplinary

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)

Article Physics, Condensed Matter

The energetics and structure of rutile TiO2(110)

A. Kiejna et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2006)

Article Chemistry, Physical

Direct visualization of defect-mediated dissociation of water on TiO2(110)

O Bikondoa et al.

NATURE MATERIALS (2006)

Article Physics, Multidisciplinary

Formation and splitting of paired hydroxyl groups on reduced TiO2(110) -: art. no. 066107

S Wendt et al.

PHYSICAL REVIEW LETTERS (2006)

Article Materials Science, Multidisciplinary

Revisiting the (110) surface structure of TiO2:: A theoretical analysis

SJ Thompson et al.

PHYSICAL REVIEW B (2006)

Article Chemistry, Physical

Water adsorption on ZnO(1010): from single molecules to partially dissociated monolayers

B Meyer et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Adsorption bond length for H2O on TiO2(110):: A key parameter for theoretical understanding -: art. no. 226104

F Allegretti et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Physical

O2 interaction and reactivity on a model hydroxylated rutile(110) surface

A Tilocca et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Chemistry, Physical

A theoretical study on the electronic structures of TiO2:: Effect of Hartree-Fock exchange

YF Zhang et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Physics, Multidisciplinary

Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface

O Dulub et al.

PHYSICAL REVIEW LETTERS (2005)

Article Materials Science, Multidisciplinary

Exothermic water dissociation on the rutile TiO2(110) surface -: art. no. 075439

PJD Lindan et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Physical

Formation of oxygen vacancies on the TiO2(110) surfaces

SG Wang et al.

SURFACE SCIENCE (2005)

Article Chemistry, Physical

First principles study of CO oxidation on TiO2(110):: The role of surface oxygen vacancies

XY Wu et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

The adsorption of hydrogen on the rutile TiO2(110) surface

M Kunat et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)

Article Chemistry, Multidisciplinary

Partial dissociation of water leads to stable superstructures on the surface of zinc oxide

B Meyer et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)

Article Materials Science, Multidisciplinary

Density-functional study of Cu atoms, monolayers, films, and coadsorbates on polar ZnO surfaces

B Meyer et al.

PHYSICAL REVIEW B (2004)

Article Chemistry, Physical

Oxygen vacancies on TiO2 (110) from first principles calculations

J Oviedo et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Adsorption of gold on stoichiometric and reduced rutile TiO2 (110) surfaces

A Vijay et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Experimental investigation of the interaction of water and methanol with anatase-TiO2(101)

GS Herman et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2003)

Article Chemistry, Physical

Multilayer water adsorption on rutile TiO2(110):: A first-principles study

CJ Zhang et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Materials Science, Multidisciplinary

Density-functional study of the structure and stability of ZnO surfaces

B Meyer et al.

PHYSICAL REVIEW B (2003)

Article Materials Science, Multidisciplinary

Oxygen vacancy mediated adsorption and reactions of molecular oxygen on the TiO2(110) surface

XY Wu et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

Electronic structure of an isolated oxygen vacancy at the TiO2(110) surface

T Bredow et al.

CHEMICAL PHYSICS LETTERS (2002)

Article Chemistry, Physical

Periodic ab initio study of the hydrogenated rutile TiO2(110) surface

J Leconte et al.

SURFACE SCIENCE (2002)

Article Materials Science, Multidisciplinary

Composition, structure, and stability of RuO2(110) as a function of oxygen pressure -: art. no. 035406

K Reuter et al.

PHYSICAL REVIEW B (2002)

Article Chemistry, Physical

Car-Parrinello simulation of H2O dissociation on rutile

W Langel

SURFACE SCIENCE (2002)

Article Physics, Multidisciplinary

Imaging water dissociation on TiO2(110) -: art. no. 266103

IM Brookes et al.

PHYSICAL REVIEW LETTERS (2001)

Article Physics, Multidisciplinary

Oxygen vacancies as active sites for water dissociation on rutile TiO2(110) -: art. no. 266104

R Schaub et al.

PHYSICAL REVIEW LETTERS (2001)

Article Physics, Applied

Surface hydroxyl formation on vacuum-annealed TiO2(110)

T Fujino et al.

APPLIED PHYSICS LETTERS (2001)

Article Physics, Multidisciplinary

Kinetics and energetics of oligomer desorption from surfaces

KR Paserba et al.

PHYSICAL REVIEW LETTERS (2001)

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Article Materials Science, Multidisciplinary

Equilibrium and adhesion of Nb/sapphire: The effect of oxygen partial pressure

IG Batyrev et al.

PHYSICAL REVIEW B (2000)