Simulation of Electron Diffusion in TiO2 Porous Structures in Dye-Sensitized Solar Cells
スポンサーリンク
概要
- 論文の詳細を見る
In order to understand the behavior of electrons in complex porous structures, we have simulated electron diffusion processes in complex porous structures that have been fabricated using a system for a three-dimensional porous structure simulator, POCO2. For a given porosity, as the overlap ratio representing a necked porous TiO2 structure increased, the coordination number of TiO2 particles increased, resulting in an increase in electron flux and a decrease in trapping time. To gain better insights, we simulated the diffusion of electrons using models with different particle size distributions. This study shows that for a narrower size distribution of TiO2 particles, a better electron diffusion process is realized. This result can be ascribed to the formation of a better TiO2 coordination network. Consequently, through this study, we have shown that a well-formed neck between TiO2 particles improves the electron diffusion properties of a complex porous material.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2009-04-25
著者
-
Sahnoun Riadh
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Del Carpio
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Kubo Momoji
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University
-
Lv Chen
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Suzuki Ai
New Ind. Creation Hatchery Center Tohoku Univ.
-
Takaba Hiromitsu
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Tsuboi Hideyuki
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Miyamoto Akira
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Endou Akira
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Koyama Michihisa
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Hatakeyama Nozomu
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Ogiya Kei
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
-
Deka Ramesh
Department of Chemical Science, School of Science and Technology, Tezpur University, Napaam 784028, Tezpur, Assam, India
-
Ogiya Kei
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
関連論文
- Theoretic Study of Electronic and Electrical Properties for Nano-Structural ZnO
- PE-490 Left Anterior Fascicular Ventricular Tachycardia may Develop in Structural Heart Disease(PE082,Ventricular Arrhythmia (Clinical/Diagnosis/Treatment) (A),Poster Session (English),The 73rd Annual Scientific Meeting of the Japanese Circulation Society
- PJ-500 Primary-Prevention ICD with Class I/IIa Indication may Benefit Patients with Ischemic Cardiomyopathy Comparably to Secondary Prevention : Single Center Retrospective Study(PJ084,CRT (M),Poster Session (Japanese),The 73rd Annual Scientific Meeting o
- 複数成分を扱える自動車触媒の経時劣化特性シミュレータの開発と応用
- Influences of Film Deposition Condition on Friction of Diamond-Like Carbon Film: A Theoretical Investigation
- Tight-Binding Quantum Chemistry Study on Excitation Properties of Perylene with Acrylic Acid on Anatase (001) Surface
- Sintering inhibition mechanism of Pt on cerium oxide using ultra accelerated quantum chemical molecular dynamics (第106回触媒討論会B講演予稿)
- Quantum chemical investigation of excited state and photo-induced catalysis (第93回触媒討論会B講演予稿 テーマ「グリーンケミストリー」)
- A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach
- Tight-Binding Quantum Chemical Molecular Dynamics Study on Interfacial Electron Transfer in Dye-Sensitized Anatase (001) Surface
- Development of Multi-Scale Electrical Conductivity Simulator with the Joule Heating Module and its Application to Polycrystalline SiO_2
- Influence of Chemical Topology on the Electrical Properties of Carbon Black-A Theoretical Study
- PE-200 Assessment of Left Ventricular Dyssynchrony in Patients with Systolic Dysfunction by Regional Wall Motion Analysis of ECG-Gated Myocardial Perfusion SPECT(Heart failure, clinical(09)(M),Poster Session(English),The 72nd Annual Scientific Meeting of
- OE-219 The Prevention of Contrast-Induced Nephropathy and Renal Protective Effect by Carperitide(Kidney/Renal circulation(01)(H),Oral Presentation(English),The 72nd Annual Scientific Meeting of the Japanese Circulation Society)
- PJ-683 Dose "The Bigger the better" Hold True in SFA Intervention?(Peripheral circulation/Vascular disease-5, The 71st Annual Scientific Meeting of the Japanese Circulation Society)
- PJ-279 Left Anterior Fascicular Ventricular Tachycardia Associated with Structural Heart Disease(Arrhythmia, diagnosis/pathophysiology/EPS-13, The 71st Annual Scientific Meeting of the Japanese Circulation Society)
- PJ-133 Increased Intimal Hyperplasia Volume in the Edges of Overlapping Cypehr Stents(Restenosis basic/clinical-3, The 71st Annual Scientific Meeting of the Japanese Circulation Society)
- PE-081 Ticlopidine Resistance is a Risk Factor of Coronary Restenosis(Thromboembolism/Antithrombotic therapy/Thrombolysis-2, The 71st Annual Scientific Meeting of the Japanese Circulation Society)
- FRS-118 Clinical Results and Predictive Factors of Restenosis and Late Thrombosis after SES Placement for Small Vessels in the J-Cypher Registry(Coronary Revascularization (clinical) 2, The 71st Annual Scientific Meeting of the Japanese Circulation Societ
- PJ-799 Lipophilic Statins But Not Hydrophilic Statin Reduce the Ability of Ticlopidine to Inhibit Platelet Aggregation(Thromboembolism/Antithrombotic therapy/Thrombolysis-5 (H) PJ141,Poster Session (Japanese),The 70th Anniversary Annual Scientific Meeting
- PJ-426 Assessment of Aspirin/Thienopyridine Resistance by Means of Modified Screen Filtration Pressuremethod in Patients with Coronary Heart Disease(Thromboembolism/Antithrombotic therapy/Thrombolysis-4 (H) PJ72,Poster Session (Japanese),The 70th Annivers
- PE-356 Does Pilsicainide Challenge Provide Further Clinical Implication in Addition to Disclosing the Brugada Phenotype When Combined with Body Surface Mapping?(ECG/Body surface potential mapping/Holter-4 (A) PE60,Poster Session (English),The 70th Anniver
- The Efficacy and Safety of High-dose Carvedilol in Japanese Patients with Refractory Chronic Heart Failure(Heart Failure, Clinical 9 (M), The 69th Annual Scientific Meeting of the Japanese Circulation Society)
- The Study of MDCT(Multidetector-Row CT) for the Classification of Coronary Plaques in Slow flow Cases(X-ray/CT/MRI/DSA 6 (I), The 69th Annual Scientific Meeting of the Japanese Circulation Society)
- The Findings of Carotid US can Predict the Restenosis after PCI(Echo/Doppler 8 (I), The 69th Annual Scientific Meeting of the Japanese Circulation Society)
- Massive Red Thrombus and/or Atheroma Thrombus may Cause No-reflow Phenomenon Following Mechanical Reperfusion in Patients with Acute Myocardial Infarction(Coronary Revascularization, PTCA/Stent/DCA/Rotablator/New Device 14 (IHD), The 69th Annual Scientifi
- Defect Volume in Tc-Tetrofosmin Myocardial Perfusion Imaging Risk Stratifies Patients with Prior Myocardial Infarction and Advanced Left Ventricular Dysfunction(Nuclear Cardiology 9 (I), The 69th Annual Scientific Meeting of the Japanese Circulation
- PJ-251 Improvement of the time-dependent myocardial salvage by distal protection in patients with acute myocardial infarction treated by PCI(Acute Myocardial Infarction, Clinical (Diagnosis/Treatment) 10 (IHD) : PJ42)(Poster Session (Japanese))
- PE-103 Prognosis and Risk Stratification for Arrhythmic Death among MADIT-II Eligible Japanese Patients : Study Based on ^Tc-Tetrofosmin Myocardial Scintigraphy(Arrhythmia, Non-Pharmacological Therapy 4 (A) : PE18)(Poster Session (English))
- Inhibition of Complement-Mediated Immune Hemolysis by The Constant Domain of Immunoglobulin
- Development of a Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics
- Development of the multi-scale simulator for the dye-sensitized TiO_2 nanoporous electrode based on quantum chemical calculation
- Theoretical Study on the Photophyscial Properties of an Efficient Sensitizer for Nanocrystalline TiO_2-Based Solar Cells
- A Theoretical Approach for Developing New p-Type Transparent Conducting Metal Oxide
- Theoretical Study on the Photophyscial Properties of an Efficient Sensitizer for Nanocrystalline TiO_2-Based Solar Cells
- Development of A Combined Thermal Conductivity Prediction Simulator Including Conduction Electron and Lattice Vibration Effects
- Theoretical Study on the Electronic and Structural Properties of p-Type Transparent Conducting Metal Oxides
- Development of Accelerated Large-Scale Electronic Structure Calculation Program for Designing of Rare Earth Phosphors
- A Theoretical Study of the Effect of Eu ion Dopant on the Electronic Excitations of Yttrium Oxide and Yttrium Oxy-Sulphide
- Study on the Role of Oxygen Vacancies of Indium Tin Oxide by Density Functional Theory and Accelerated Quantum Chemical Molecular Dynamics Method
- Theoretical simulation on the excited state properties : Effect of lanthanide ion dopant in yttrium oxide and yttrium oxy-sulphide
- A Theoretical Study on Influence of Oxygen Vacancies on the Electronic Properties of Indium Oxide and Indium Tin Oxide
- A Theoretical Study : Effect of Eu and Er ion Dopant on the Electronic Excitations of Yttrium Oxide and Yttrium Oxy-Sulphide
- SIM-01 MD SIMULATION ON THE RESPONSE SPEED OF HYDRAULIC FLUID(Simulations of Micro/Nano Scale Phenomena I,Technical Program of Oral Presentations)
- Accelerated Quantum Chemical Molecular Dynamics Study on the Properties of Organic Light-Emitting Diodes
- Theoretical characterization of ground and low lying excited state of poly(3,4-ethylenedioxythiophene) and poly(4-styrenesulfonate)
- Theoretical Investigation of the Electronic Properties of PEDOT : PSS Conducting Polymer on Indium Tin Dioxide (ITO) Surface : an Accelerated Quantum Chemical Molecular Dynamics Method
- Molecular Dynamics and Quantum Chemical Molecular Dynamics Approach to Design of MgO Protecting Layer in Plasma Display
- SIM-11 A NEW APPROACH ON CALCULATION OF VISCOSITIES OF COMPLEX LIQUIDS USING ULTRA-ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS(Simulations of Micro/Nano Scale Phenomena III,Technical Program of Oral Presentations)
- Computational Chemistry Study of Diamond-like Carbon : Functions and Structure Control by Frictional Force
- Theoretical Study on Electronic and Electrical Properties of Nano Structural ZnO
- Theoretical study on the electrical properties of conducting carbon based materials
- Dielectric Breakdown Simulation by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
- Development of New Calculation Method for Rare Earth Element and Large Scale Electronic Structure Calculation of Blue Phosphor BaMgAl_O_:Eu^
- Tight-Binding Molecular Dynamics Study of Hydrogen Molecule Inside Silicon Crystal
- Tight-binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
- Tight-Binding Molecular Dynamics Simulation of Desorbed SiO Molecule during the Oxidation of Si(111) Surface
- Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
- Periodic Boundary Quantum Chemical Study on ZnO Ultra-Violet Laser Emitting Materials
- Hyperconjugative Electron-Delocalization Mechanism Controlling the Conformational Preference of Fluoroacetaldehyde and Methyl Fluoroacetate
- Theoretical investigation on counter ion directed asymmetric gold catalyzed hydroamination: reaction mechanism and origin of enantioselectivity (第103回触媒討論会B講演予稿 資源有効利用のための触媒化学)
- Molecular Modeling of Gas Permeation through an Amorphous Microporous Silica Membrane
- Theoretical Simulation of Dielectric Breakdown by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
- Theoretical Investigation of Electrical and Electronic Properties of Carbon Materials
- Investigation of the Electrical and Electronic Properties of Semiconductor Oxide Gas Sensors by Tight-Binding Quantum Calculations
- A Methodology to Estimate Transport Diffusivities in 'Single-File' Permeation through Zeolite Membranes Using Molecular Simulations
- Direct Observation of Hydrogen Production from an Alcohol Polymer Stimulated by Surface Electron Current
- Multiscale Simulation of Dye-Sensitized Solar Cells Considering Schottky Barrier Effect at Photoelectrode
- Theoretical Study on Effect of SiC Crystal Structure on Carrier Transfer in Quantum Dot Solar Cells
- Computational Study on Carrier Injection in Ca/Poly(9,9$'$-dioctylfluorene) Interface by Using Quantum Chemistry and Monte Carlo Methods
- Influence of Organic Functional Groups on the Electrical Properties of Carbon Black: A Theoretical Study
- Non-Equilibrium Dynamic Monte Carlo Simulations on Methane and Ethylene Permeations through MFI-type Silicalite Membranes
- Development of Multiscale Simulator for Dye-Sensitized TiO2 Nanoporous Electrode Based on Quantum Chemical Calculation
- Theoretical Study on Electronic and Electrical Properties of Nanostructural ZnO
- Excited State Study of Europium Oxide and Europium Sulphide using Quantum Chemical Method
- Development of a Multi-Scale Electromigration Simulator Based on a Combination of Ultra Accelerated Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Methods Application to Cu Interconnects Lifetime Simulation
- Adsorption of atomic hydrogen on A-Al2O3 by hydrogen spillover: a quantum chemical molecular dynamics study (第104回触媒討論会B講演予稿)
- Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces
- A Theoretical Design of Surface Modifiers for Suppression of Membrane Fouling: Potential of Poly(2-methoxyethylacrylate)
- Development of Three Dimensional Kinetic Monte Carlo (3D-KMC) Grain Growth Simulator Based on Tight Binding Quantum Chemical Molecular Dynamics and Its Application to the Analysis of Thermal Grain Growth of CeO2 and Rh/CeO2
- Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model
- A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase
- Fixing Atmospheric Nitrogen into Alcohol and Simultaneous Generation of Hydrogen on the Atomic Force Microscopy (AFM) Tip
- Large-Scale Electronic Structure Calculation on Blue Phosphor BaMgAl10O17:Eu2+ Using Tight-Binding Quantum Chemistry Method Implemented for Rare-Earth Elements
- Theoretical Simulation of Dielectric Breakdown by Molecular Dynamics and Tight-Binding Quantum Chemistry Methods
- Effect of Surface Termination on Superlow Friction of Diamond Film: A Theoretical Study
- Theoretical Investigation of the Photophysical Properties of Black Dye Sensitizer [(H3-tctpy)M(NCS)3]- ($\text{M} = \text{Fe}$, Ru, Os) in Dye Sensitized Solar Cells
- Theoretical Study on the Electronic and Electrical Properties of p-Type Transparent Conducting Metal Oxides
- Development of A Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics
- Theoretical Investigation on Electrical and Electronic Properties of Carbon Materials
- Development of Constraint Algorithm for the Number of Electrons in Molecular Orbitals Consisting Mainly $4 f$ Atomic Orbitals of Rare-Earth Elements and Its Introduction to Tight-Binding Quantum Chemical Molecular Dynamics Method
- Tight-Binding Quantum Chemical Calculations of Electronic Structures of Indium Tin Oxide
- A Theoretical Study of Initial Deposition Processes of Mg on MgO: A Novel Quantum Chemical Molecular Dynamics Approach
- Development of Electrical Conductivity Estimation Method Based on Tight-Binding Quantum Chemical Molecular Dynamics Simulation
- Development of a Thermal Conductivity Prediction Simulators Based on the Effects of Electron Conduction and Lattice Vibration
- Simulation of Electron Diffusion in TiO2 Porous Structures in Dye-Sensitized Solar Cells
- Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials
- Application of Reaction Time Accelerating Molecular Dynamic to Modeling of Metallocene-Catalyzed Ethylene/1-butene Copolymerization
- Molecular dynamics simulations for microscopic behavior of water molecules in the vicinity of zwitterionic self-assembled monolayers
- Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials