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。The acid-base and redox reactivity of CeO2 nanoparticles: Influence of the Hubbard U term in DFT plus U studies
Mercedes Boronat et al.
SURFACE SCIENCE (2016)
Charge Trapping at the Step Edges of TiO2 Anatase (101)
Martin Setvin et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
Filippo De Angelis et al.
CHEMICAL REVIEWS (2014)
Enhanced Photocatalytic CO2-Reduction Activity of Anatase TiO2 by Coexposed {001} and {101} Facets
Jiaguo Yu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Direct View at Excess Electrons in TiO2 Rutile and Anatase
Martin Setvin et al.
PHYSICAL REVIEW LETTERS (2014)
Why is anatase a better photocatalyst than rutile? - Model studies on epitaxial TiO2 films
Tim Luttrell et al.
SCIENTIFIC REPORTS (2014)
Synergy of Low-Energy {101} and High-Energy {001} TiO2 Crystal Facets for Enhanced Photocatalysis
Nitish Roy et al.
ACS NANO (2013)
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water
Michal Bajdich et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Incorporation of Nonmetal Impurities at the Anatase TiO2(001)-(1 x 4) Surface
Jun Hee Lee et al.
PHYSICAL REVIEW LETTERS (2013)
Tunable Polaronic Conduction in Anatase TiO2
S. Moser et al.
PHYSICAL REVIEW LETTERS (2013)
Pressure dependence of the large-polaron transport in anatase TiO2 single crystals
J. Jacimovic et al.
EPL (2012)
Kinetics and mechanisms of charge transfer processes in photocatalytic systems: A review
Liwu Zhang et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS (2012)
DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase
Antonio Tilocca et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Distribution of Ti3+ Surface Sites in Reduced TiO2
N. Aaron Deskins et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
On the Nature of Reduced States in Titanium Dioxide As Monitored by Electron Paramagnetic Resonance. I: The Anatase Case
Stefano Livraghi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Evidence for Crystal-Face-Dependent TiO2 Photocatalysis from Single-Molecule Imaging and Kinetic Analysis
Takashi Tachikawa et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Structure of the Rutile TiO2(011) Surface in an Aqueous Environment
U. Aschauer et al.
PHYSICAL REVIEW LETTERS (2011)
Photocatalytic Activity of Bulk TiO2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy
Mingchun Xu et al.
PHYSICAL REVIEW LETTERS (2011)
A surface science perspective on TiO2 photocatalysis
Michael A. Henderson
SURFACE SCIENCE REPORTS (2011)
Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation
Sophie Le Caer
WATER (2011)
Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)
Ulrich Aschauer et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Defining the Role of Excess Electrons in the Surface Chemistry of TiO2
N. Aaron Deskins et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO2(110) Surface
Piotr M. Kowalski et al.
PHYSICAL REVIEW LETTERS (2010)
Reduced and n-Type Doped TiO2: Nature of Ti3+ Species
Cristiana Di Valentin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Local ordering and electronic signatures of submonolayer water on anatase TiO2(101)
Yunbin He et al.
NATURE MATERIALS (2009)
Evidence for the Predominance of Subsurface Defects on Reduced Anatase TiO2(101)
Yunbin He et al.
PHYSICAL REVIEW LETTERS (2009)
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)
Characteristics of high efficiency dye-sensitized solar cells
Qing Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
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)
Solvated electrons on metal oxide surfaces
Jin Zhao et al.
CHEMICAL REVIEWS (2006)
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
M Otani et al.
PHYSICAL REVIEW B (2006)
Linear response approach to the calculation of the effective interaction parameters in the LDA+U method
M Cococcioni et al.
PHYSICAL REVIEW B (2005)
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II
E Schwegler et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Direct observation of competitive adsorption between methanol and water on TiO2:: An in situ sum-frequency generation study
CY Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Crystal faces of rutile and anatase TiO2 particles and their roles in photocatalytic reactions
T Ohno et al.
NEW JOURNAL OF CHEMISTRY (2002)
Stress-driven reconstruction of an oxide surface:: The anatase TiO2(001)-(1x4) surface -: art. no. 266105
M Lazzeri et al.
PHYSICAL REVIEW LETTERS (2001)
Bridging the pressure and materials gaps between catalysis and surface science: clean and modified oxide surfaces
HJ Freund et al.
TOPICS IN CATALYSIS (2001)
Infrared spectra of photoinduced species on hydroxylated titania surfaces
SH Szczepankiewicz et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Structure determination of the two-domain (1 x 4) anatase TiO2(001) surface
GS Herman et al.
PHYSICAL REVIEW LETTERS (2000)