Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Facet-dependent trapping and dynamics of excess electrons at anatase TiO2 surfaces and aqueous interfaces

Journal Article · · Nature Materials
DOI:https://doi.org/10.1038/nmat4672· OSTI ID:1535064
 [1];
  1. DOE/OSTI
+ Show Author Affiliations
Not provided.
Research Organization:
Princeton Univ., NJ (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0007347; AC02-05CH11231
OSTI ID:
1535064
Journal Information:
Nature Materials, Journal Name: Nature Materials Journal Issue: 10 Vol. 15; ISSN 1476-1122
Publisher:
Springer Nature - Nature Publishing Group
Country of Publication:
United States
Language:
English

References (51)

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal April 1990
Unified Approach for Molecular Dynamics and Density-Functional Theory journal November 1985
Why is anatase a better photocatalyst than rutile? - Model studies on epitaxial TiO2 films journal February 2014
Kinetics and mechanisms of charge transfer processes in photocatalytic systems: A review journal December 2012
Influence of Subsurface Defects on the Surface Reactivity of TiO 2 : Water on Anatase (101) journal December 2009
Direct Observation of Competitive Adsorption between Methanol and Water on TiO 2 :  An in Situ Sum-Frequency Generation Study journal July 2004
Incorporation of Nonmetal Impurities at the Anatase TiO 2 ( 001 ) − ( 1 × 4 ) Surface journal January 2013
Solvated Electrons on Metal Oxide Surfaces journal October 2006
The acid–base and redox reactivity of CeO2 nanoparticles: Influence of the Hubbard U term in DFT + U studies journal June 2016
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method journal January 2005
Defining the Role of Excess Electrons in the Surface Chemistry of TiO 2 journal March 2010
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water journal August 2013
Infrared Spectra of Photoinduced Species on Hydroxylated Titania Surfaces journal October 2000
Photoelectrochemical cells journal November 2001
A surface science perspective on TiO2 photocatalysis journal June 2011
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach journal March 2006
Pressure dependence of the large-polaron transport in anatase TiO 2 single crystals journal September 2012
Band theory and Mott insulators: Hubbard U instead of Stoner I journal July 1991
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II journal September 2004
Surface Science Studies of the Photoactivation of TiO 2 New Photochemical Processes journal October 2006
Charge Localization Dynamics Induced by Oxygen Vacancies on the TiO 2 ( 110 ) Surface journal September 2010
Electrical and optical properties of TiO 2 anatase thin films journal February 1994
DFT-GGA and DFT+ U Simulations of Thin Water Layers on Reduced TiO 2 Anatase journal April 2012
VMD: Visual molecular dynamics journal February 1996
Distribution of Ti 3+ Surface Sites in Reduced TiO 2 journal March 2011
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
Tunable Polaronic Conduction in Anatase TiO 2 journal May 2013
Electronic Structure of Defect States in Hydroxylated and Reduced Rutile TiO 2 ( 110 ) Surfaces journal October 2006
On the Nature of Reduced States in Titanium Dioxide As Monitored by Electron Paramagnetic Resonance. I: The Anatase Case journal December 2011
Evidence for the Predominance of Subsurface Defects on Reduced Anatase TiO 2 ( 101 ) journal March 2009
Bridging the pressure and materials gaps between catalysis and surface science: clean and modified oxide surfaces journal June 2001
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
Synergy of Low-Energy {101} and High-Energy {001} TiO 2 Crystal Facets for Enhanced Photocatalysis journal March 2013
Structure Determination of the Two-Domain ( 1 × 4 ) Anatase TiO 2 ( 001 ) Surface journal April 2000
Enhanced Photocatalytic CO 2 -Reduction Activity of Anatase TiO 2 by Coexposed {001} and {101} Facets journal June 2014
Characteristics of High Efficiency Dye-Sensitized Solar Cells † journal December 2006
Generalized Gradient Approximation Made Simple journal October 1996
Reaction of the hydrated electron with water journal October 1992
Evidence for Crystal-Face-Dependent TiO 2 Photocatalysis from Single-Molecule Imaging and Kinetic Analysis journal May 2011
Structure of the Rutile TiO 2 ( 011 ) Surface in an Aqueous Environment journal April 2011
Theoretical Studies on Anatase and Less Common TiO 2 Phases: Bulk, Surfaces, and Nanomaterials journal May 2014
Reduced and n-Type Doped TiO 2 : Nature of Ti 3+ Species journal September 2009
Stress-Driven Reconstruction of an Oxide Surface: The Anatase TiO 2 ( 001 ) − ( 1 × 4 ) Surface journal December 2001
Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation journal February 2011
Local ordering and electronic signatures of submonolayer water on anatase TiO2(101) journal May 2009
The surface science of titanium dioxide journal January 2003
Crystal faces of rutile and anatase TiO2 particles and their roles in photocatalytic reactions journal July 2002
Charge Trapping at the Step Edges of TiO 2 Anatase (101) journal March 2014
Comparison of the electronic structure of anatase and rutile TiO 2 single-crystal surfaces using resonant photoemission and x-ray absorption spectroscopy journal January 2007
Direct View at Excess Electrons in TiO 2 Rutile and Anatase journal August 2014
Photocatalytic Activity of Bulk TiO 2 Anatase and Rutile Single Crystals Using Infrared Absorption Spectroscopy journal March 2011

Similar Records

Location Of Hole And Electron Traps On Nanocrystalline Anatase TiO2
Journal Article · Thu May 17 00:00:00 EDT 2012 · Journal of Physical Chemistry C · OSTI ID:1043107
Aqueous Phase Aldol Condensation of Formaldehyde and Acetone on Anatase TiO2(101) Surface: A Theoretical Investigation
Journal Article · Wed Feb 19 23:00:00 EST 2020 · ChemCatChem · OSTI ID:1648037
Defining the Role of Excess Electrons in the Surface Chemistry of TiO2
Journal Article · Thu Apr 08 00:00:00 EDT 2010 · Journal of Physical Chemistry C, 114(13):5891-5897 · OSTI ID:978934

Related Subjects

Chemistry
Materials Science
Physics