A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania
出版年份 2015 全文链接
标题
A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania
作者
关键词
-
出版物
MOLECULES
Volume 20, Issue 2, Pages 3371-3388
出版商
MDPI AG
发表日期
2015-02-17
DOI
10.3390/molecules20023371
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。- Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: A comparative first-principles study
- (2015) Fleur Legrain et al. JOURNAL OF POWER SOURCES
- Water driven adsorption of amino acids on the (101) anatase TiO2 surface: an ab initio study
- (2015) Lorenzo Agosta et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Localized Order–Disorder Transitions Induced by Li Segregation in Amorphous TiO2 Nanoparticles
- (2014) Handan Yildirim et al. ACS Applied Materials & Interfaces
- Low crystallinity TiO2 film with inherent low oxygen vacancy for sensitized solar cells
- (2014) Xiao Tang et al. CHEMICAL PHYSICS
- Titanium Dioxide Nanomaterials for Photovoltaic Applications
- (2014) Yu Bai et al. CHEMICAL REVIEWS
- Structure and Mobility of Acetic Acid at the Anatase (101)/Acetonitrile Interface
- (2014) Clelia Spreafico et al. Journal of Physical Chemistry C
- Mechanism of Oxygen Exchange between CO2 and TiO2(101) Anatase
- (2014) Dan C. Sorescu et al. Journal of Physical Chemistry C
- The Stability, Electronic Structure, and Optical Property of TiO2 Polymorphs
- (2014) Tong Zhu et al. Journal of Physical Chemistry C
- Fluorite TiO2(111) Surface Phase for Enhanced Visible-Light Solar Energy Conversion
- (2014) Mang Niu et al. Journal of Physical Chemistry C
- The Role of Hydrogen on the Adsorption Behavior of Carboxylic Acid on TiO2 Surfaces
- (2014) Wolfgang Heckel et al. Journal of Physical Chemistry C
- Anatase Titania Nanorods as an Intercalation Anode Material for Rechargeable Sodium Batteries
- (2014) Ki-Tae Kim et al. NANO LETTERS
- Lithium Insertion in Nanostructured TiO2(B) Architectures
- (2013) Anthony G. Dylla et al. ACCOUNTS OF CHEMICAL RESEARCH
- Suitability of amorphous TiO2 nanoparticles as a photoelectrode in dye sensitized solar cells: A DFT–TDDFT study
- (2013) R.D. Eithiraj et al. CHEMICAL PHYSICS LETTERS
- Black anatase titania enabling ultra high cycling rates for rechargeable lithium batteries
- (2013) Seung-Taek Myung et al. Energy & Environmental Science
- Pseudocapacitance of Amorphous TiO2 Thin Films Anchored to Graphene and Carbon Nanotubes Using Atomic Layer Deposition
- (2013) Xiang Sun et al. Journal of Physical Chemistry C
- Monoethanolamine Adsorption on TiO2(110): Bonding, Structure, and Implications for Use as a Model Solid-Supported CO2 Capture Material
- (2013) Kathrin Müller et al. Journal of Physical Chemistry C
- Dye Sensitized Solar Cells for Economically Viable Photovoltaic Systems
- (2013) Hyun Suk Jung et al. Journal of Physical Chemistry Letters
- Sol–Gel Design Strategy for Ultradispersed TiO2 Nanoparticles on Graphene for High-Performance Lithium Ion Batteries
- (2013) Wei Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Anharmonic vibrations of the carboxyl group in acetic acid on TiO2: implications for adsorption mode assignment in dye-sensitized solar cells
- (2013) Matthew Chan et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Unraveling the adsorption mechanism of aromatic and aliphatic diols on the TiO2 surface: a density functional theory analysis
- (2013) Giacomo Giorgi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Recent progress and the status of dye-sensitised solar cell (DSSC) technology with state-of-the-art conversion efficiencies
- (2013) Hari M. Upadhyaya et al. SOLAR ENERGY MATERIALS AND SOLAR CELLS
- Self-consistent-charge density-functional tight-binding molecular dynamics simulations of amorphous TiO2 growth
- (2013) Grygoriy A. Dolgonos SURFACE SCIENCE
- Surface-specific interaction by structure-match confined pure high-energy facet of unstable TiO2(B) polymorph
- (2013) Guolei Xiang et al. Scientific Reports
- cp2k: atomistic simulations of condensed matter systems
- (2013) Jürg Hutter et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Aluminum storage behavior of anatase TiO2 nanotube arrays in aqueous solution for aluminum ion batteries
- (2012) S. Liu et al. Energy & Environmental Science
- Properties of amorphous and crystalline titanium dioxide from first principles
- (2012) Binay Prasai et al. JOURNAL OF MATERIALS SCIENCE
- Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment
- (2012) Chiara Anselmi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%
- (2012) Hui-Seon Kim et al. Scientific Reports
- A TiO2-nanotube-array-based photocatalytic fuel cell using refractory organic compounds as substrates for electricity generation
- (2011) Yanbiao Liu et al. CHEMICAL COMMUNICATIONS
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Adsorption of Acetic Acid on Rutile TiO2(110) vs (011)-2 × 1 Surfaces
- (2011) Junguang Tao et al. Journal of Physical Chemistry C
- First-Principles Theory of Electrochemical Capacitance of Nanostructured Materials: Dipole-Assisted Subsurface Intercalation of Lithium in Pseudocapacitive TiO2 Anatase Nanosheets
- (2011) Joongoo Kang et al. Journal of Physical Chemistry C
- Splitting Water on Metal Oxide Surfaces
- (2011) Hu Xu et al. Journal of Physical Chemistry C
- Amorphous TiO2 Nanotube Anode for Rechargeable Sodium Ion Batteries
- (2011) Hui Xiong et al. Journal of Physical Chemistry Letters
- Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption
- (2011) Filippo De Angelis et al. Journal of Physical Chemistry Letters
- The effect of ligand substitution and water co-adsorption on the adsorption dynamics and energy level matching of amino-phenyl acid dyes on TiO2
- (2011) Sergei Manzhos et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dye-Sensitized Solar Cells
- (2010) Anders Hagfeldt et al. CHEMICAL REVIEWS
- Lithium Coordination Sites in LixTiO2(B): A Structural and Computational Study
- (2010) A. Robert Armstrong et al. CHEMISTRY OF MATERIALS
- Improvement of dye-sensitized solar cells: what we know and what we need to know
- (2010) Zhijun Ning et al. Energy & Environmental Science
- Adsorption of nucleotides on the rutile (110) surface
- (2010) Sibylle Gemming et al. International Journal of Materials Research
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Adsorption of Thiophene-Conjugated Sensitizers on TiO2 Anatase (101)
- (2010) Conn O’Rourke et al. Journal of Physical Chemistry C
- Mechanism of Li+/Electron Conductivity in Rutile and Anatase TiO2 Nanoparticles
- (2010) Maria L. Sushko et al. Journal of Physical Chemistry C
- Lithium Storage in Amorphous TiO[sub 2] Nanoparticles
- (2010) Wouter J. H. Borghols et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells Models: An ab Initio Investigation
- (2009) Mariachiara Pastore et al. ACS Nano
- Green energy storage materials: Nanostructured TiO2 and Sn-based anodes for lithium-ion batteries
- (2009) Da Deng et al. Energy & Environmental Science
- First-principle calculations of structural and electronic properties of rutile-phase dioxides (MO2), M = Ti, V, Ru, Ir and Sn
- (2009) B. A. Hamad EUROPEAN PHYSICAL JOURNAL B
- Updated references for the structural, electronic, and vibrational properties of TiO2(B) bulk using first-principles density functional theory calculations
- (2009) Mouna Ben Yahia et al. JOURNAL OF CHEMICAL PHYSICS
- An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium
- (2009) Grygoriy Dolgonos et al. Journal of Chemical Theory and Computation
- Structure and Stability of TiO2-B Surfaces: A Density Functional Study
- (2009) Andrea Vittadini et al. Journal of Physical Chemistry C
- Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review
- (2009) Zhenguo Yang et al. JOURNAL OF POWER SOURCES
- Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells
- (2009) Akihiro Kojima et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Comparison of the rate capability of nanostructured amorphous and anatase TiO2for lithium insertion using anodic TiO2nanotube arrays
- (2009) Hai-Tao Fang et al. NANOTECHNOLOGY
- The electronic structure and ionic diffusion of nanoscale LiTiO2 anatase
- (2009) W. J. H. Borghols et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Impact of Nanosizing on Lithiated Rutile TiO2
- (2008) Wouter J. H. Borghols et al. CHEMISTRY OF MATERIALS
- Anatase TiO2 single crystals with a large percentage of reactive facets
- (2008) Hua Gui Yang et al. NATURE
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started