Theoretical and Conceptual Framework to Design Efficient Dye-Sensitized Solar Cells (DSSCs): Molecular Engineering by DFT Method

Prediction of Second-Order Nonlinear Optical Properties of D–π–A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities

(2019) Muhammad Usman Khan et al.   JOURNAL OF CLUSTER SCIENCE

Module-Analysis-Assisted Design of Deep Ultraviolet Fluorooxoborates with Extremely Large Gap and High Structural Stability

(2019) Zhihua Yang et al.   CHEMISTRY OF MATERIALS

Theoretical study on organic dyes with tunable π-spacers for dye-sensitized solar cells: Inspired by the organic polymer photovoltaics

(2019) Xiaoyin Xie et al.   CHEMICAL PHYSICS LETTERS

Theoretical Study of the Effect of Different π Bridges Including an Azomethine Group in Triphenylamine-Based Dye for Dye-Sensitized Solar Cells

(2019) Tomás Delgado-Montiel et al.   MOLECULES

First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers

(2018) Muhammad Usman Khan et al.   Journal of Physical Chemistry C

Azulene – Thiophene – Cyanoacrylic acid dyes with donor-π-acceptor structures. Synthesis, characterisation and evaluation in dye-sensitized solar cells

(2018) Paul Cowper et al.   TETRAHEDRON

Insight into the optoelectronic properties of designed solar cells efficient tetrahydroquinoline dye-sensitizers on TiO2(101) surface: first principles approach

(2018) Juganta K. Roy et al.   Scientific Reports

First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications

(2018) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

Designing an Excellent Deep-Ultraviolet Birefringent Material for Light Polarization

(2018) Xinglong Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical study of 5,10-diphenylindeno[2,1-a]indene (DPI) dyes for dye sensitized solar cells (DSSC)

(2018) Ken-Hao Chang et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F

(2017) Guoqiang Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor

(2017) Muhammad Ramzan Saeed Ashraf Janjua   Journal of the Iranian Chemical Society

Screening and design of high-performance indoline-based dyes for DSSCs

(2017) Yuanzuo Li et al.   RSC Advances

Novel ethynyl-pyrene substituted phenothiazine based metal free organic dyes in DSSC with 12% conversion efficiency

(2017) Bhanumathi Nagarajan et al.   Journal of Materials Chemistry A

Computational studies on optoelectronic and charge transfer properties of some perylene-based donor-π-acceptor systems for dye sensitized solar cell applications

(2016) Taniya Manzoor et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical studies and spectroscopic characterization of novel 4-methyl-5-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)benzene-1,2-diol

(2016) Somayeh Soleimani Amiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Screeningπ-conjugated bridges of organic dyes for dye-sensitized solar cells with panchromatic visible light harvesting

(2016) Zhenqing Yang et al.   NANOTECHNOLOGY

Quantum chemical study of the effect of π-bridge on the optical and electronic properties of sensitizers for DSSCs incorporating dioxythiophene and thiophene units

(2016) Tomás Delgado-Montiel et al.   THEORETICAL CHEMISTRY ACCOUNTS

Effect of π-spacers and anchoring groups on the photovoltaic performances of ullazine-based dyes

(2016) He Qiao et al.   RSC Advances

The introduction of conjugated isolation groups into the common acceptor cyanoacrylic acid: an efficient strategy to suppress the charge recombination in dye sensitized solar cells and the dramatically improved efficiency from 5.89% to 9.44%

(2016) Huiyang Li et al.   Journal of Materials Chemistry A

Phenothiazine-based dyes for efficient dye-sensitized solar cells

(2016) Zu-Sheng Huang et al.   Journal of Materials Chemistry C

Porphyrins as excellent dyes for dye-sensitized solar cells: recent developments and insights

(2015) Tomohiro Higashino et al.   DALTON TRANSACTIONS

Study of chemical reactivity in relation to experimental parameters of efficiency in coumarin derivatives for dye sensitized solar cells using DFT

(2015) Rody Soto-Rojo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Novel organic dyes based on diarylmethylene-bridged triphenylamine for dye-sensitized solar cells

(2015) Fei Wu et al.   SYNTHETIC METALS

Screening donor groups of organic dyes for dye-sensitized solar cells

(2015) Zhenqing Yang et al.   RSC Advances

Improved molecular architecture of D–π–A carbazole dyes: 9% PCE with a cobalt redox shuttle in dye sensitized solar cells

(2015) Saurabh S. Soni et al.   Journal of Materials Chemistry A

Indolo[3,2,1-jk]carbazole Derivatives-Sensitized Solar Cells: Effect of π-Bridges on the Performance of Cells

(2014) Chunhua Luo et al.   Journal of Physical Chemistry C

Highly efficient dye-sensitized solar cells: progress and future challenges

(2013) Shufang Zhang et al.   Energy & Environmental Science

The Role of the Conjugate Bridge in Electronic Structures and Related Properties of Tetrahydroquinoline for Dye Sensitized Solar Cells

(2013) Cai-Rong Zhang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Tuning band structures of dyes for dye-sensitized solar cells: effect of different π-bridges on the performance of cells

(2013) Jing Liu et al.   RSC Advances

Quantum Mechanical Design of Efficient Second-Order Nonlinear Optical Materials Based on Heteroaromatic Imido-Substituted Hexamolybdates: First Theoretical Framework of POM-Based Heterocyclic Aromatic Rings

(2012) Muhammad Ramzan Saeed Ashraf Janjua   INORGANIC CHEMISTRY

Effect of π-conjugation spacer (CC) on the first hyperpolarizabilities of polymeric chain containing polyoxometalate cluster as a side-chain pendant: A DFT study

(2012) Muhammad Ramzan Saeed Ashraf Janjua et al.   Computational and Theoretical Chemistry

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

A DFT Study on The Two-Dimensional Second-Order Nonlinear Optical (NLO) Response of Terpyridine-Substituted Hexamolybdates: Physical Insight on 2D Inorganic-Organic Hybrid Functional Materials

(2011) Muhammad Ramzan Saeed Ashraf Janjua et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Density functional theory characterization and design of high-performance diarylamine-fluorenedyes with different π spacers for dye-sensitized solar cells

(2011) Ji Zhang et al.   JOURNAL OF MATERIALS CHEMISTRY

Specific Indolo[3,2,1-jk]carbazole Conducting Thin-Film Materials Production by Selective Substitution

(2011) John B. Henry et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Characteristics of the Iodide/Triiodide Redox Mediator in Dye-Sensitized Solar Cells

(2009) Gerrit Boschloo et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Production and Characterisation of Novel Conducting Redox-Active Oligomeric Thin Films From Electrooxidised Indolo[3,2,1-jk]carbazole

(2009) Stuart I. Wharton et al.   CHEMISTRY-A EUROPEAN JOURNAL

Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

(2009) Jochen Autschbach   CHEMPHYSCHEM

How the Nature of Triphenylamine-Polyene Dyes in Dye-Sensitized Solar Cells Affects the Open-Circuit Voltage and Electron Lifetimes

(2009) Tannia Marinado et al.   LANGMUIR

Synthesis of New Indolocarbazole-Acceptor Alternating Conjugated Copolymers and Their Applications to Thin Film Transistors and Photovoltaic Cells

(2009) Jung-Hsun Tsai et al.   MACROMOLECULES

Indolo[3,2-b]carbazole: Promising building block for highly efficient electroluminescent materials

(2009) Hua-Ping Zhao et al.   ORGANIC ELECTRONICS

DFT and TDDFT study on organic dye sensitizers D5, DST and DSS for solar cells

(2008) Zhang Cai-Rong et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Effect of Different Dye Baths and Dye-Structures on the Performance of Dye-Sensitized Solar Cells Based on Triphenylamine Dyes

(2008) Haining Tian et al.   Journal of Physical Chemistry C

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY