Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model

スポンサーリンク

概要

• 論文の詳細を見る

• Our newly developed our original multi-scale simulator was applied to dye-sensitized solar cells (DSSC) to investigate the effect of the complex porous structure of a TiO2 electrode on cell performance. We simulated the current–voltage ($I$–$V$) characteristics for various models of porous structures of DSSCs including cis-di(thiocyanato)-bis(2,2$'$-bipyridyl-4,4$'$-dicarboxylic acid)-ruthenium(II) (N3 dye). The short-circuit current density increased with decreasing porosity, overlap ratio, and particle diameter. A DSSC system including TA–St–CA (C30H22N2O2) as a sensitizer was also investigated for comparison with the system with N3 dye. The dependence of the amount of dye adsorption on the $I$–$V$ characteristics was evaluated. A linear relation between the short-circuit current density and the amount of dye adsorption was found. The obtained results indicate that our developed multi-scale simulator is a powerful tool for obtaining insights into the effect of properties in DSSCs and for optimizing the DSSC structure.

• 2010-04-25

著者

• Suzuki Ai

  New Ind. Creation Hatchery Center Tohoku Univ.

• Ogiya Kei

  Department Of Applied Chemistry Graduate School Of Engineering Tohoku University

• Ai Suzuki

  New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Hideyuki Tsuboi

  Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Nozomu Hatakeyama

  Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Akira Endou

  Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Hiromitsu Takaba

  Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Momoji Kubo

  Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University, 6-6-11-701 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Akira Miyamoto

  Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Onodera Mari

  Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, Sendai 980-8579, Japan

• Akira Miyamoto

  Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Mari Onodera

  Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

• Kei Ogiya

  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
• 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)
• 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
• 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
• SIM-01 MD SIMULATION ON THE RESPONSE SPEED OF HYDRAULIC FLUID(Simulations of Micro/Nano Scale Phenomena I,Technical Program of Oral Presentations)
• 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)
• 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
• Development of Multiscale Simulator for Dye-Sensitized TiO2 Nanoporous Electrode Based on Quantum Chemical Calculation
• Quantum Chemistry Study of Surface Structure Effects on Secondary Electron Emission in MgO Protecting Layers for Plasma Displays
• 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)
• Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers
• Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces
• A Theoretical Study on Initial Processes of Li-Ion Transport at the Electrolyte/Cathode Interface: A Quantum Chemical Molecular Dynamics Approach
• 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
• Development of A Seebeck Coefficient Prediction Simulator Using Tight-Binding Quantum Chemical Molecular Dynamics
• 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
• 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

もっと見る 閉じる

スポンサーリンク