Multilayer Dye Aggregation at Dye/TiO2 Interface via π…π Stacking and Hydrogen Bond and Its Impact on Solar Cell Performance: A DFT Analysis

Lateral black phosphorene P–N junctions formed via chemical doping for high performance near-infrared photodetector

(2016) Xuechao Yu et al.   Nano Energy

A promising two-dimensional solar cell donor: Black arsenic–phosphorus monolayer with 1.54 eV direct bandgap and mobility exceeding 14,000 cm 2 V −1 s −1

(2016) Meiqiu Xie et al.   Nano Energy

Anchoring Groups for Dye-Sensitized Solar Cells

(2015) Lei Zhang et al.   ACS Applied Materials & Interfaces

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogenated arsenenes as planar magnet and Dirac material

(2015) Shengli Zhang et al.   APPLIED PHYSICS LETTERS

Adsorption Properties of p-Methyl Red Monomeric-to-Pentameric Dye Aggregates on Anatase (101) Titania Surfaces: First-Principles Calculations of Dye/TiO2 Photoanode Interfaces for Dye-Sensitized Solar Cells

(2014) Lei Zhang et al.   ACS Applied Materials & Interfaces

Variation in Optoelectronic Properties of Azo Dye-Sensitized TiO2 Semiconductor Interfaces with Different Adsorption Anchors: Carboxylate, Sulfonate, Hydroxyl and Pyridyl Groups

(2014) Lei Zhang et al.   ACS Applied Materials & Interfaces

Salicylic Acid As a Tridentate Anchoring Group for azo-Bridged Zinc Porphyrin in Dye-Sensitized Solar Cells

(2013) Faliang Gou et al.   ACS Applied Materials & Interfaces

Optical Properties and Aggregation of Phenothiazine-Based Dye-Sensitizers for Solar Cells Applications: A Combined Experimental and Computational Investigation

(2013) Saurabh Agrawal et al.   Journal of Physical Chemistry C

Molecular Origins of Dye Aggregation and Complex Formation Effects in Coumarin 343

(2013) Xiaogang Liu et al.   Journal of Physical Chemistry C

Tuning Solvatochromism of Azo Dyes with Intramolecular Hydrogen Bonding in Solution and on Titanium Dioxide Nanoparticles

(2013) Lei Zhang 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

Electronic and optical properties of the triphenylamine-based organic dye sensitized TiO2 semiconductor: insight from first principles calculations

(2013) Jinxia Liang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance

(2013) Lei Zhang et al.   ACS Sustainable Chemistry & Engineering

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

(2013) Saurabh Agrawal et al.   Journal of Materials Chemistry A

Enhancement of Photogenerated Mechanical Force in Azobenzene-Functionalized Polyimides

(2012) Kyung Min Lee et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The calculations of excited-state properties with Time-Dependent Density Functional Theory

(2012) Carlo Adamo et al.   CHEMICAL SOCIETY REVIEWS

TD-DFT Assessment of Functionals for Optical 0–0 Transitions in Solvated Dyes

(2012) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Computational Investigation of Dye–Iodine Interactions in Organic Dye-Sensitized Solar Cells

(2012) Mariachiara Pastore et al.   Journal of Physical Chemistry C

Isomerization and Aggregation of the Solar Cell Dye D149

(2012) Ahmed El-Zohry et al.   Journal of Physical Chemistry C

What Is the Best Anchoring Group for a Dye in a Dye-Sensitized Solar Cell?

(2012) Francesco Ambrosio et al.   Journal of Physical Chemistry Letters

First-Principles Computational Modeling of Fluorescence Resonance Energy Transfer in Co-Sensitized Dye Solar Cells

(2012) Mariachiara Pastore et al.   Journal of Physical Chemistry Letters

Photo-responsive carbon nanomaterials functionalized by azobenzene moieties: structures, properties and application

(2012) Wei Feng et al.   Nanoscale

The renaissance of dye-sensitized solar cells

(2012) Brian E. Hardin et al.   Nature Photonics

H-Aggregation Strategy in the Design of Molecular Semiconductors for Highly Reliable Organic Thin Film Transistors

(2011) Seul-ong Kim et al.   ADVANCED FUNCTIONAL MATERIALS

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

Density functional theory and the band gap problem

(2010) John P. Perdew   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Low band gap dyes based on 2-styryl-5-phenylazo-pyrrole: Synthesis and application for efficient dye-sensitized solar cells

(2010) J.A. Mikroyannidis et al.   JOURNAL OF POWER SOURCES

Torsionally ResponsiveC3-Symmetric Azo Dyes: Azo−Hydrazone Tautomerism, Conformational Switching, and Application for Chemical Sensing

(2010) Ho Yong Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Different Anchoring Groups on the Adsorption of Photoactive Compounds on the Anatase (101) Surface

(2010) Pipsa Hirva et al.   LANGMUIR

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

(2009) Mariachiara Pastore et al.   ACS Nano