4.8 Article

Mechanism and active site of photocatalytic water splitting on titania in aqueous surroundings

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

Double-Ended Surface Walking Method for Pathway Building and Transition State Location of Complex Reactions

Xiao-Jie Zhang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

Dual reaction channels for photocatalytic oxidation of phenylmethanol on anatase

Ye-Fei Li et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

Article Chemistry, Multidisciplinary

Observation of Photocatalytic Dissociation of Water on Terminal Ti Sites of TiO2(110)-1 x 1 Surface

Shijing Tan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Chemistry, Multidisciplinary

Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)

Qing Guo et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Chemistry, Physical

Searching for active binary rutile oxide catalyst for water splitting from first principles

Dong Chen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

DFT plus U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs

M. E. Arroyo-de Dompablo et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Photocatalytic Activities of Different Well-defined Single Crystal TiO2 Surfaces: Anatase versus Rutile

Amira Y. Ahmed et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)

Article Materials Science, Multidisciplinary

Excitons at the (001) surface of anatase: Spatial behavior and optical signatures

Giacomo Giorgi et al.

PHYSICAL REVIEW B (2011)

Review Chemistry, Physical

A surface science perspective on TiO2 photocatalysis

Michael A. Henderson

SURFACE SCIENCE REPORTS (2011)

Article Chemistry, Physical

Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics

Jun Cheng et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Physical

Constrained Broyden Minimization Combined with the Dimer Method for Locating Transition State of Complex Reactions

Cheng Shang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Physical

Auxiliary Density Matrix Methods for Hartree-Fock Exchange Calculations

Manuel Guidon et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Review Chemistry, Physical

Titania-water interactions: a review of theoretical studies

Chenghua Sun et al.

JOURNAL OF MATERIALS CHEMISTRY (2010)

Article Chemistry, Physical

Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)

Ulrich Aschauer et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Physical

Cluster Study of the Photo-Oxidation of Water on Rutile Titanium Dioxide (TiO2)

A. Valdes et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Physical

Photocatalytic Water Splitting: Recent Progress and Future Challenges

Kazuhiko Maeda et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Chemistry, Multidisciplinary

Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)

Ya-Hui Fang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Article Chemistry, Multidisciplinary

Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings

Ye-Fei Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Article Materials Science, Multidisciplinary

Aligning electronic energy levels at the TiO2/H2O interface

Jun Cheng et al.

PHYSICAL REVIEW B (2010)

Article Physics, Multidisciplinary

Efficient Band Gap Prediction for Solids

M. K. Y. Chan et al.

PHYSICAL REVIEW LETTERS (2010)

Article Chemistry, Multidisciplinary

Importance of the relationship between surface phases and photocatalytic activity of TiO2

Jing Zhang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Article Chemistry, Physical

Synthesis and Li-Ion insertion properties of highly crystalline mesoporous rutile TiO2

Donghai Wang et al.

CHEMISTRY OF MATERIALS (2008)

Article Chemistry, Physical

Oxidation and photo-oxidation of water on TiO2 surface

A. Valdes et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2008)

Article Materials Science, Multidisciplinary

Fractional charge perspective on the band gap in density-functional theory

Aron J. Cohen et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Localization and delocalization errors in density functional theory and implications for band-gap prediction

Paula Mori-Sanchez et al.

PHYSICAL REVIEW LETTERS (2008)

Review Chemistry, Physical

TiO2 photocatalysis and related surface phenomena

Akira Fujishima et al.

SURFACE SCIENCE REPORTS (2008)

Article Materials Science, Multidisciplinary

First-principles study of the structures and energetics of stoichiometric brookite TiO2 surfaces

Xue-Qing Gong et al.

PHYSICAL REVIEW B (2007)

Article Chemistry, Multidisciplinary

Mechanism of water photooxidation reaction at atomically flat TiO2 (rutile) (110) and (100) surfaces:: Dependence on solution pH

Akihito Imanishi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Chemistry, Physical

Long-range corrected density functional calculations of chemical reactions: Redetermination of parameter

Jong-Won Song et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Materials Science, Multidisciplinary

Linear-scaling first-principles molecular dynamics with plane-waves accuracy

JL Fattebert et al.

PHYSICAL REVIEW B (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 Computer Science, Interdisciplinary Applications

QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

J VandeVondele et al.

COMPUTER PHYSICS COMMUNICATIONS (2005)

Article Chemistry, Physical

First-principles molecular dynamics simulations in a continuum solvent

JL Fattebert et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)

Article Chemistry, Multidisciplinary

Crystal faces of rutile and anatase TiO2 particles and their roles in photocatalytic reactions

T Ohno et al.

NEW JOURNAL OF CHEMISTRY (2002)

Article Materials Science, Multidisciplinary

Numerical atomic orbitals for linear-scaling calculations -: art. no. 235111

J Junquera et al.

PHYSICAL REVIEW B (2001)

Article Geochemistry & Geophysics

A natural shock-induced dense polymorph of rutile with α-PbO2 structure in the suevite from the Ries crater in Germany

A El Goresy et al.

EARTH AND PLANETARY SCIENCE LETTERS (2001)

Article Multidisciplinary Sciences

Photoelectrochemical cells

M Grätzel

NATURE (2001)