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。DFT and TD-DFT Investigation of a Charge Transfer Surface Resonance Raman Model of N3 Dye Bound to a Small TiO2 Nanoparticle
Ronald L. Birke et al.
NANOMATERIALS (2021)
Morphology of TiO2 Nanoparticles as a Fingerprint for the Transient Absorption Spectra: Implications for Photocatalysis
Angel Morales-Garcia et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Unraveling Dynamical and Light Effects on Functionalized Titanium Dioxide Nanoparticles for Bioconjugation
Costanza Ronchi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT plus U Methods
Won June Kim et al.
FRONTIERS IN CHEMISTRY (2019)
Synthesis and applications of nano-TiO2: a review
Muhammad Tayyab Noman et al.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH (2019)
Titanium dioxide nanostructures for photoelectrochemical applications
Shaohua Shen et al.
PROGRESS IN MATERIALS SCIENCE (2018)
Reversible Photodoping of TiO2 Nanoparticles for Photochromic Applications
Urmas Joost et al.
CHEMISTRY OF MATERIALS (2018)
Exploring potential Environmental applications of TiO2 Nanoparticles
Adawiya J. Haider et al.
INTERNATIONAL CONFERENCE ON TECHNOLOGIES AND MATERIALS FOR RENEWABLE ENERGY, ENVIRONMENT AND SUSTAINABILITY, TMREES17 (2017)
Generation and Detection of Reactive Oxygen Species in Photocatalysis
Yoshio Nosaka et al.
CHEMICAL REVIEWS (2017)
Photoactivity of Molecule-TiO2 Clusters with Time-Dependent Density-Functional Theory
E. Luppi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Direct Evidence of Chelated Geometry of Catechol on TiO2 by a Combined Solid-State NMR and DFT Study
Daniel Finkelstein-Shapiro et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Spherical versus Faceted Anatase TiO2 Nanoparticles: A Model Study of Structural and Electronic Properties
Gianluca Fazio et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
DFT/TDDFT investigation on the UV-vis absorption and fluorescence properties of alizarin dye
Anna Amat et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Titanium Dioxide in the Service of the Biomedical Revolution
Tijana Rajh et al.
CHEMICAL REVIEWS (2014)
Titanium Dioxide Nanomaterials for Photovoltaic Applications
Yu Bai et al.
CHEMICAL REVIEWS (2014)
Titanium Dioxide-Based Nanomaterials for Photocatalytic Fuel Generations
Yi Ma et al.
CHEMICAL REVIEWS (2014)
Probing the Optical Property and Electronic Structure of TiO2 Nanomaterials for Renewable Energy Applications
Mukes Kapilashrami et al.
CHEMICAL REVIEWS (2014)
Understanding TiO2 Photocatalysis: Mechanisms and Materials
Jenny Schneider et al.
CHEMICAL REVIEWS (2014)
Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
Filippo De Angelis et al.
CHEMICAL REVIEWS (2014)
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
Enrico Berardo et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
The unique role of nanoparticles in nanomedicine: imaging, drug delivery and therapy
Tennyson L. Doane et al.
CHEMICAL SOCIETY REVIEWS (2012)
Solid-state dye-sensitized and bulk heterojunction solar cells using TiO2 and ZnO nanostructures: recent progress and new concepts at the borderline
Johann Boucle et al.
POLYMER INTERNATIONAL (2012)
Studies of the tautomeric forms of alizarin in the ground state by electronic spectroscopy combined with quantum chemical calculations
Annaig Le Person et al.
CHEMICAL PHYSICS LETTERS (2011)
A Qualitative Index of Spatial Extent in Charge-Transfer Excitations
Tangui Le Bahers et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Direct vs Indirect Mechanisms for Electron Injection in Dye-Sensitized Solar Cells
Rocio Sanchez-de-Armas et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin
R. Sanchez-de-Armas et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)
Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation
Filippo De Angelis
CHEMICAL PHYSICS LETTERS (2010)
Dye-Sensitized Solar Cells
Anders Hagfeldt et al.
CHEMICAL REVIEWS (2010)
Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters
Rocio Sanchez-de-Armas et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Evidence of Multiple Electron Injection and Slow Back Electron Transfer in Alizarin-Sensitized Ultrasmall TiO2 Particles
Sreejith Kaniyankandy et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
A High-Performance Nanobio Photocatalyst for Targeted Brain Cancer Therapy
Elena A. Rozhkova et al.
NANO LETTERS (2009)
Targeting cancer cells by ROS-mediated mechanisms: a radical therapeutic approach?
Dunyaporn Trachootham et al.
NATURE REVIEWS DRUG DISCOVERY (2009)
Labeling TiO2 Nanoparticles with Dyes for Optical Fluorescence Microscopy and Determination of TiO2-DNA Nanoconjugate Stability
Kenneth T. Thurn et al.
SMALL (2009)
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
Bartolomeo Civalleri et al.
CRYSTENGCOMM (2008)
Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters
Zhenyu Guo et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Electronic excited state of alizarin dye adsorbed on TiO2 nanoparticles:: A study by electroabsorption (Stark effect) spectroscopy
Agnieszka Nawrocka et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Solvatochromic study of 1,2-dihydroxyanthraquinone in neat and binary solvent mixtures
V. Sasirekha et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2008)
Time-dependent density functional theory investigations on the excited states of Ru(II)-dye-sensitized TiO2 nanoparticles:: The role of sensitizer protonation
Filippo De Angelis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Time-domain ab initio study of charge relaxation and recombination in dye-sensitized TiO2
Walter R. Duncan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Reactive oxygen species: A breath of life or death?
John P. Fruehauf et al.
CLINICAL CANCER RESEARCH (2007)
DFT study of bare and dye-sensitized TiO2 clusters and nanocrystals
Maria J. Lundqvist et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Probing inhomogeneous vibrational reorganization energy barriers of interfacial electron transfer
DH Pan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Ab initio nonadiabatic molecular dynamics of the ultrafast electron injection across the alizarin-TiO2 interface
WR Duncan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium
WR Duncan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Conversion of sunlight to electric power by nanocrystalline dye-sensitized solar cells
M Grätzel
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2004)
Transient absorption spectroscopy of ruthenium and osmium polypyridyl complexes adsorbed onto nanocrystalline TiO2 photoelectrodes
D Kuciauskas et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Excited-state dynamics of alizarin-sensitized TiO2 nanoparticles from resonance Raman spectroscopy
LCT Shoute et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Real-time observation of photoinduced adiabatic electron transfer in strongly coupled dye/semiconductor colloidal systems with a 6 fs time constant
R Huber et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code
B Civalleri et al.
CHEMICAL PHYSICS LETTERS (2001)
The role of surface states in the ultrafast photoinduced electron transfer from sensitizing dye molecules to semiconductor colloids
R Huber et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
分享论文
