Modeling the effect of ionic additives on the optical and electronic properties of a dye-sensitized TiO2 heterointerface: absorption, charge injection and aggregation

Modeling Excited States and Alignment of Energy Levels in Dye-Sensitized Solar Cells: Successes, Failures, and Challenges

(2013) Mariachiara Pastore et al.   Journal of Physical Chemistry C

Intermolecular Interactions in Dye-Sensitized Solar Cells: A Computational Modeling Perspective

(2013) Mariachiara Pastore et al.   Journal of Physical Chemistry Letters

First-Principles Modeling of Dye-Sensitized Solar Cells: Challenges and Perspectives

(2012) Frédéric Labat et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes

(2012) Pratibha Dev et al.   JOURNAL OF CHEMICAL PHYSICS

Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups

(2012) Jingrui Li et al.   JOURNAL OF CHEMICAL PHYSICS

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

Lithium salts as “redox active” p-type dopants for organic semiconductors and their impact in solid-state dye-sensitized solar cells

(2012) Antonio Abate et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of Ion Induced Local Coulomb Field and Polarity on Charge Generation and Efficiency in Poly(3-Hexylthiophene)-Based Solid-State Dye-Sensitized Solar Cells

(2011) Agnese Abrusci et al.   ADVANCED FUNCTIONAL MATERIALS

Electron Transfer Dynamics in Dye-Sensitized Solar Cells

(2011) Andrea Listorti et al.   CHEMISTRY OF MATERIALS

The structure–property relationship of organic dyes in mesoscopic titania solar cells: only one double-bond difference

(2011) Jingyuan Liu et al.   Energy & Environmental Science

Computational Modeling of Stark Effects in Organic Dye-Sensitized TiO2 Heterointerfaces

(2011) Mariachiara Pastore et al.   Journal of Physical Chemistry Letters

Theoretical Procedure for Optimizing Dye-Sensitized Solar Cells: From Electronic Structure to Photovoltaic Efficiency

(2011) Tangui Le Bahers 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

A TD-DFT study of the effects of structural variations on the photochemistry of polyenedyes

(2011) Saurabh Agrawal et al.   Chemical Science

A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues

(2010) Mariachiara Pastore et al.   Journal of Physical Chemistry C

ELECTROCHEMICAL TECHNIQUES FOR THE STUDY OF PHOTOSENSITIZATION*

(2010) H. GERISCHER   PHOTOCHEMISTRY AND PHOTOBIOLOGY

Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells Models: An ab Initio Investigation

(2009) Mariachiara Pastore et al.   ACS Nano

Parameters Influencing the Efficiency of Electron Injection in Dye-Sensitized Solar Cells

(2009) Sara E. Koops et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells

(2009) Tangui Le Bahers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly Efficient Nanoporous TiO2-Polythiophene Hybrid Solar Cells Based on Interfacial Modification Using a Metal-Free Organic Dye

(2008) Rui Zhu et al.   ADVANCED MATERIALS

Ground- and Excited-State Properties of the Mixed-Valence Complex [(NH3)5RuIIINCRuII(CN)5]−

(2008) Ivan Kondov et al.   JOURNAL OF PHYSICAL CHEMISTRY A