Structure and Electronic Properties of TiO2 Nanoclusters and Dye–Nanocluster Systems Appropriate to Model Hybrid Photovoltaic or Photocatalytic Applications
出版年份 2019 全文链接
标题
Structure and Electronic Properties of TiO2 Nanoclusters and Dye–Nanocluster Systems Appropriate to Model Hybrid Photovoltaic or Photocatalytic Applications
作者
关键词
-
出版物
Nanomaterials
Volume 9, Issue 3, Pages 357
出版商
MDPI AG
发表日期
2019-03-04
DOI
10.3390/nano9030357
参考文献
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/TD-DFT study of novel T shaped phenothiazine-based organic dyes for dye-sensitized solar cells applications
- (2019) Zhijie Xu et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Adsorption orientation effects of porphyrin dyes on the performance of DSSC: Comparison of benzoic acid and tropolone anchoring groups binding onto the TiO 2 anatase (101) surface
- (2018) Han-Cheng Zhu et al. APPLIED SURFACE SCIENCE
- Increasing the open-circuit voltage and adsorption stability of squaraine dye binding onto the TiO 2 anatase (1 0 1) surface via heterocyclic anchoring groups used for DSSC
- (2018) Han-Cheng Zhu et al. APPLIED SURFACE SCIENCE
- Promising pyridinium ylide based anchors towards high-efficiency dyes for dye-sensitized solar cells applications: Insights from theoretical investigations
- (2018) Teng-Fei Lu et al. ELECTROCHIMICA ACTA
- Size and surface groups effects in decahedral anatase nanoparticles for photocatalytic applications
- (2018) Alexander V. Vorontsov et al. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
- Promising heterocyclic anchoring groups with superior adsorption stability and improved IPCE for high-efficiency noncarboxyl dye sensitized solar cells: A theoretical study
- (2018) Ji Zhang et al. ORGANIC ELECTRONICS
- How to screen a promising anchoring group from heterocyclic components in dye sensitized solar cell:A theoretical investigation
- (2018) Shuai Feng et al. ELECTROCHIMICA ACTA
- Effect of the Structure of Small Anatase Nanoparticles on the Localization of Photogenerated Charge Carriers
- (2017) A. V. Vorontsov KINETICS AND CATALYSIS
- Modeling the formation of TiO2 ultra-small nanoparticles
- (2017) Mingyang Chen et al. Nanoscale
- Molecular and Interfacial Calculations of Iron(II) Light Harvesters
- (2016) Lisa A. Fredin et al. ChemSusChem
- Computational studies on optoelectronic and charge transfer properties of some perylene-based donor-π-acceptor systems for dye sensitized solar cell applications
- (2016) Taniya Manzoor et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Energy Level Alignment at Titanium Oxide–Dye Interfaces: Implications for Electron Injection and Light Harvesting
- (2015) Laurent Lasser et al. Journal of Physical Chemistry C
- Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study
- (2015) Fernando Mendizabal et al. Computational and Theoretical Chemistry
- Modeling Materials and Processes in Hybrid/Organic Photovoltaics: From Dye-Sensitized to Perovskite Solar Cells
- (2014) Filippo De Angelis ACCOUNTS OF CHEMICAL RESEARCH
- Titanium Dioxide Nanomaterials for Sensor Applications
- (2014) Jing Bai et al. CHEMICAL REVIEWS
- Solution-Phase Synthesis of Titanium Dioxide Nanoparticles and Nanocrystals
- (2014) Matteo Cargnello et al. CHEMICAL REVIEWS
- Introduction: Titanium Dioxide (TiO2) Nanomaterials
- (2014) Xiaobo Chen et al. CHEMICAL REVIEWS
- Three-Dimensional Titanium Dioxide Nanomaterials
- (2014) Dina Fattakhova-Rohlfing et al. CHEMICAL REVIEWS
- Titanium Dioxide in the Service of the Biomedical Revolution
- (2014) Tijana Rajh et al. CHEMICAL REVIEWS
- Titanium Dioxide Nanomaterials for Photovoltaic Applications
- (2014) Yu Bai et al. CHEMICAL REVIEWS
- Titanium Dioxide Crystals with Tailored Facets
- (2014) Gang Liu et al. CHEMICAL REVIEWS
- Titanium Dioxide-Based Nanomaterials for Photocatalytic Fuel Generations
- (2014) Yi Ma et al. CHEMICAL REVIEWS
- Probing the Optical Property and Electronic Structure of TiO2 Nanomaterials for Renewable Energy Applications
- (2014) Mukes Kapilashrami et al. CHEMICAL REVIEWS
- Understanding TiO2 Photocatalysis: Mechanisms and Materials
- (2014) Jenny Schneider et al. CHEMICAL REVIEWS
- Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
- (2014) Filippo De Angelis et al. CHEMICAL REVIEWS
- DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2nanocluster: Application to photocatalytic degradation under visible light irradiation
- (2014) Corneliu I Oprea et al. Beilstein Journal of Nanotechnology
- Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC)
- (2013) Jing Wang et al. DYES AND PIGMENTS
- Inherent electronic trap states in TiO2 nanocrystals: effect of saturation and sintering
- (2013) Francesca Nunzi et al. Energy & Environmental Science
- DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster
- (2013) Corneliu I. Oprea et al. INTERNATIONAL JOURNAL OF PHOTOENERGY
- Emerging polymorphism in nanostructured TiO2: Quantum chemical comparison of anatase, rutile, and brookite clusters
- (2013) Marta Gałyńska et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Intermolecular Interactions in Dye-Sensitized Solar Cells: A Computational Modeling Perspective
- (2013) Mariachiara Pastore et al. Journal of Physical Chemistry Letters
- Band alignment of rutile and anatase TiO2
- (2013) David O. Scanlon et al. NATURE MATERIALS
- Density Functional Theory (DFT) Study of Coumarin-based Dyes Adsorbed on TiO2 Nanoclusters—Applications to Dye-Sensitized Solar Cells
- (2013) Corneliu Oprea et al. Materials
- Theoretical studies on spectroscopic properties of ruthenium sensitizers absorbed to TiO2 film surface with connection mode for DSSC
- (2012) Jie Chen et al. DYES AND PIGMENTS
- Influence of the dye molecular structure on the TiO2conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects
- (2012) Enrico Ronca et al. Energy & Environmental Science
- Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2: A First-Principles Investigation
- (2012) Edoardo Mosconi et al. Journal of Physical Chemistry C
- Challenges for Density Functional Theory
- (2011) Aron J. Cohen et al. CHEMICAL REVIEWS
- Density functional theory characterization and design of high-performance diarylamine-fluorenedyes with different π spacers for dye-sensitized solar cells
- (2011) Ji Zhang et al. JOURNAL OF MATERIALS CHEMISTRY
- Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models
- (2011) Filippo De Angelis et al. Journal of Physical Chemistry C
- Direct vs Indirect Mechanisms for Electron Injection in Dye-Sensitized Solar Cells
- (2011) Rocío Sánchez-de-Armas et al. Journal of Physical Chemistry C
- Influence of Donor Groups of Organic D−π–A Dyes on Open-Circuit Voltage in Solid-State Dye-Sensitized Solar Cells
- (2011) Amalie Dualeh et al. Journal of Physical Chemistry C
- Particle Size, Shape and Activity for Photocatalysis on Titania Anatase Nanoparticles in Aqueous Surroundings
- (2011) Ye-Fei Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Computational modelling of TiO2surfaces sensitized by organic dyes with different anchoring groups: adsorption modes, electronic structure and implication for electron injection/recombination
- (2011) Mariachiara Pastore et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dye-Sensitized Solar Cells
- (2010) Anders Hagfeldt et al. CHEMICAL REVIEWS
- A density functional theory and time-dependent density functional theory investigation on the anchor comparison of triarylamine-based dyes
- (2010) Bo Peng et al. JOURNAL OF CHEMICAL PHYSICS
- Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2Nanoclusters
- (2010) Rocío Sánchez-de-Armas et al. Journal of Chemical Theory and Computation
- The Relevance of Dispersion Interactions for the Stability of Oxide Phases
- (2010) José C. Conesa Journal of Physical Chemistry C
- First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications
- (2010) Filippo De Angelis et al. Journal of Physical Chemistry C
- Electronic structure and optical spectra of catechol on TiO2nanoparticles from real time TD-DFT simulations
- (2010) R. Sánchez-de-Armas et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Modelling nano-clusters and nucleation
- (2009) C. Richard A. Catlow et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Anatase shows its reactive side
- (2008) Annabella Selloni NATURE MATERIALS
- Structural, electronic, and surface properties of anataseTiO2nanocrystals from first principles
- (2008) Amilcare Iacomino et al. PHYSICAL REVIEW B
- Anion-π interactions
- (2007) Brandi L. Schottel et al. CHEMICAL SOCIETY REVIEWS
- cclib: A library for package-independent computational chemistry algorithms
- (2007) Noel M. O'boyle et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now