Article
Biochemistry & Molecular Biology
Fatma M. Mustafa, Ahmed A. Abdel Khalek, Abdulla Azzam Mahboob, Mahmoud K. Abdel-Latif
Summary: The modulation of molecular characteristics in metal-free organic dyes is important in dye-sensitized solar cells. The D-pi-A molecular design based on the furan moiety shows potential for application in DSSCs. The dyes with CSSH anchoring groups exhibit improved optoelectronic properties, and the photophysical properties of the dyes absorbed on a Ti(OH)4 model were explored.
Article
Chemistry, Physical
F. M. Mustafa, Mahmoud K. Abdel K. Latif, Ahmed A. Abdel A. Khalek
Summary: The efficiency of D-pi-A organic dyes in dye-sensitized solar cells (DSSCs) is explored. Quantum mechanics calculations are used to assess the performance of five dyes with different acceptor sizes and geometric structures. By fabricating high-efficiency DSSCs with these dyes, their performance as light-harvesting sensitizers is evaluated. Analyzing their structural and functional properties helps us understand their effectiveness as sensitizers.
Article
Chemistry, Inorganic & Nuclear
Carmen Coppola, Alessio D'Ettorre, Maria Laura Parisi, Lorenzo Zani, Gianna Reginato, Massimo Calamante, Alessandro Mordini, Maurizio Taddei, Riccardo Basosi, Adalgisa Sinicropi
Summary: A series of catechol-based sensitizers were presented for potential application in type II DSSCs. By analyzing the electronic and excited state properties of the dyes, it was found that introducing an ethylene spacer as a pi bridge enhances the charge transfer efficiency, regardless of electron-donating or electron-withdrawing substituents.
INORGANICA CHIMICA ACTA
(2021)
Review
Chemistry, Applied
Mohamed Yahya, Asmae Bouziani, Cemil Ocak, Zeynel Seferoglu, Mika Sillanpaa
Summary: Humanity heavily depends on fossil fuels, which are nonrenewable, for energy supply. Solar energy is gaining attention as an alternative solution for the current energy deficit. Dye-sensitized solar cells offer a cheaper and reliable alternative for various photovoltaic devices.
Article
Chemistry, Multidisciplinary
Jiaxin Luo, Zhengli Xie, Jiazhi Zou, Xinyan Wu, Xueqing Gong, Chengjie Li, Yongshu Xie
Summary: Efficient concerted companion (CC) dyes for fabricating high-performance DSSCs were developed in this study. By varying the position and number of beta-hexylthiophene (HT) bridges, three organic dyes (XL1-XL3) were designed and covalently linked with a porphyrin dye (XW10) to construct the corresponding CC dyes (XW74-XW76). Among them, XL3 showed the strongest light-harvesting capability in the green light region. The best power conversion efficiency (PCE) of 10.78% was achieved by the CC dye XW76, which exhibited complementary absorption with XW10 and excellent photovoltaic behavior.
CHINESE CHEMICAL LETTERS
(2022)
Review
Chemistry, Applied
Anik Sen, Miftahussurur Hamidi Putra, Abul Kalam Biswas, Anil Kumar Behera, Axel Gross
Summary: In this review, the focus is on renewable sources of energy with an emphasis on solar cell applications. Specifically, the possible future directions for the development of dye-sensitized solar cells (DSSCs) are discussed. DSSCs have gained significant research attention due to their importance in energy conversion. The review discusses the use of metal dye sensitizers, metal-free organic dyes, and natural dyes in DSSCs, highlighting their low cost, simplicity of preparation, low toxicity, and ease of production. Computational studies are also reviewed, emphasizing their contribution to the development of new dye sensitizers. The article presents a conceptual understanding of the development and working principle of photoactive DSSC materials, along with examples of studies on different dye sensitizers using both scarce to abundant metal-based dyes and metal-free organic dyes for n-type and p-type DSSCs. The choice of organic dyes, including donor, spacer, or acceptor, is discussed, and the potential of dual donor-based dyes is presented.
Article
Chemistry, Multidisciplinary
Mi-Ra Kim, Thanh Chung Pham, Hyun-Seock Yang, Sung Heum Park, Seah Yang, Myeongkee Park, Sang Gil Lee, Songyi Lee
Summary: In this study, three types of TiO2 photoelectrodes were fabricated and evaluated for the dye-sensitized solar cells using synthesized organic photosensitizers. The double-layered nanoporous TiO2 photoelectrode showed the highest efficiency, compared to the single-layered nanoporous TiO2 photoelectrodes. The relationship between photovoltaic effects and interfacial resistance characteristics could be interpreted from impedance analysis.
Article
Chemistry, Physical
Alysson Santos Barreto, Karine Oliveira Moura, Maria da Conceicao Silva Barreto, Severino Alves Junior
Summary: Rare-earth three-dimensional hydroxide frameworks were synthesized and their structural behavior upon doping with Eu3+ ions was studied, revealing limitations for doping. Isophthalate was used as a luminescence sensitizer to enhance the quantum yield. The samples showed no adsorption of methylene blue, but exhibited potential for methyl orange adsorption.
APPLIED CLAY SCIENCE
(2023)
Article
Chemistry, Physical
Nick Vlachopoulos, Anders Hagfeldt, Iacopo Benesperi, Marina Freitag, Ghufran Hashmi, Guobin Jia, Ruri Agung Wahyuono, Jonathan Plentz, Benjamin Dietzek
Summary: This paper discusses issues related to the current direction of DSSC research, focusing on the transition from iodide-containing electrolyte to alternative CTMs, introducing new dyes and counter electrodes in the process. The recent developments of CTMs based on Cu coordination complexes and their associated novel dyes are discussed in detail.
SUSTAINABLE ENERGY & FUELS
(2021)
Article
Chemistry, Physical
S. Abdel Aal, D. Awadh
Summary: The effects of an anchoring group and central metal nanoparticles on the interaction properties of phthalocyanine derivatives on TiO2 nanostructure were investigated. The titanium 2,5 dimethyl thiophenoxy benzoic acid phthalocyanine/TiO2 interface showed high electron injection efficiency, light harvesting efficiency, and open-circuit voltage, making it a promising performer in DSSC applications.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Applied
Raquel Royo, Amelia Dominguez-Celorrio, Santiago Franco, Raquel Andreu, Jesus Orduna
Summary: The synthesis and photovoltaic study of five dyes based on 4H-pyranylidene moiety as donor moiety is reported. Their electrochemical and optical properties are analyzed by using a joint experimental and theoretical approach. The presence of the trifluoromethyl group leads to an enhancement of the molar extinction coefficient.
Review
Chemistry, Physical
Afsaneh Farokhi, Hashem Shahroosvand, Fatemeh Zisti, Melanie Pilkington, Mohammad Khaja Nazeeruddin
Summary: This comprehensive review focuses on the application of triphenylamines (TPAs), a prominent class of organic molecules, in dye-sensitized/organic solar cells. By exploring synthesis strategies for TPA derivatives, researchers have successfully improved the power conversion efficiencies of the cells and provided strong support for future commercial applications.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Jonathon Watson, Roberta R. Rodrigues, Jared H. Delcamp
Summary: This study reports two squaraine dyes with unsymmetrical cores as near-infrared dyes in dye-sensitized solar cells (DSCs). The dyes were characterized through absorption spectroscopy, computational interrogation, and electrochemical analysis. After optimizing the DSC devices, the squaraine dyes showed high photocurrent output and conversion efficiency, complemented with commercial organic dyes.
CELL REPORTS PHYSICAL SCIENCE
(2022)
Article
Biochemical Research Methods
Sheng Fan, Zhao-Rong Sun, Hua Shi, Wen-Jie Fan, Da-Zhi Tan, Yong-Gang Chen
Summary: This paper presents a computational study on the modification of low-energy-gap benzoindenothiophene (BIT)-based dyes with fused thiophene moieties to build novel low band gap sensitizers. The results show that the structural modification by using fused thiophenes can effectively lower the band gap of the BIT dyes and affect their optical properties. The incorporation of different thiophene units in BIT dyes improves the oscillator strength while maintaining the lowest-energy absorption peak. The introduction of the cyclopentadithiophene unit leads to a significant red-shift of absorption peak and enhanced oscillator strength. These modified BIT dyes also demonstrate ideal molecular orbital distribution patterns and ultra-fast injection time at the dye/(TiO2)46 interface.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2022)
Article
Chemistry, Applied
Anil Reddy Marri, Heather Flint, Elizabeth A. Gibson, John Fielden
Summary: Three new thiophenyl bridged triarylamine-donor based dyes with pyridyl anchoring groups and indolium acceptors have been synthesized and studied. Phenylpyridyl anchored bis-indolium showed the best performance.
Article
Polymer Science
O. Dagdag, R. Hsissou, Zaki Safi, Rajesh Haldhar, Elyor Berdimurodov, M. El Bouchti, Nuha Wazzan, O. Hamed, S. Jodeh, M. El Gouri
Summary: The rheological behaviors of four aromatic amine-based epoxy monomers were evaluated and compared in this study, showing that TGPDA-MDA and TGMPDA-MDA had a faster increase in viscosity, indicating faster formation of 3D network structures. The macromolecular matrix structures of TGMPDA-MDA exhibited higher storage moduli G' and loss moduli G conditions compared to other matrices, suggesting superior properties. Quantum chemical calculations using density functional theory (DFT) were performed to investigate the electronic and molecular structure of the compounds before and after cross-linking with MDA units, providing insights into the influence on the properties of the examined epoxy resins.
Article
Chemistry, Physical
Naoual El-Aouni, Rachid Hsissou, Zaki Safi, Said Abbout, Fouad Benhiba, Jalila El Azzaoui, Rajesh Haldhar, Nuha Wazzan, Lei Guo, Hamid Erramli, Ahmed Elharfi, Abderrahim El Bachiri, Mohamed Rafik
Summary: The study investigates the application of two new epoxy resins as corrosion inhibitors for carbon steel in a hydrochloric acid medium. Various techniques were utilized to quantify the corrosion resistance and results showed that one of the resins had a higher efficiency compared to the other. Computational methods and molecular dynamics simulations revealed the inhibitory effect of the resins on the metal surface.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Physical
Dwarika Prasad, Omar Dagdag, Zaki Safi, Nuha Wazzan, Lei Guo
Summary: The extract of Cinnamoum tamala (C. tamala) was prepared using the Soxhlet extraction method. The corrosion resistance performance of C. tamala leaves extract for low carbon steel (LCS) in a 0.5 M H(2)SO4 solution was investigated using various methods. The results showed that C. tamala extract could be used as a highly efficient corrosion inhibitor for industrial purposes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Samar Gharbi, Habiba Zrida, Khaled Hriz, Mourad Chemek, Nuha Wazzan, Mustapha Majdoub
Summary: This study aimed to synthesize a new semiconducting anthracene-based polymer and characterize its properties. The two polymers containing Tetrazole and Isosorbide groups were prepared through click chemistry. The presence of the anthracene group affected the photophysical and electrochemical properties of the polymers, with thermal stability up to 330 degrees C. UV-vis and photoluminescence spectroscopies revealed differences in optical properties between the two polymers.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Zaki S. Safi, Nuha Wazzan, Halima Aqel
Summary: In this study, adiabatic ionization potential (AIP) and vertical ionization potential (VIP) for eight benzaldehydes were calculated using various methods and compared with experimental data, showing excellent agreement. The influence of substituents and solvents on AIP values was investigated, as well as the changes in geometrical structures between cationic and neutral species.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Engineering, Chemical
Nuha Wazzan, I. B. Obot, Taghreed M. Fagieh
Summary: The effect of molecular structure on the corrosion inhibition performance of three triazole derivatives for C1020 steel and pure copper in hydrochloric acid was investigated. The results showed that the order of inhibition efficiencies was influenced by the type of metal, molecular structure, and immersion time. The theoretical simulations provided insights on the adsorption process and active sites.
Article
Chemistry, Physical
Rene Costa, Ohoud S. Al-Qurashi, Nuha Wazzan, Alexander Pogrebnoi, Tatiana Pogrebnaya
Summary: This study combines natural betanidin or decarboxylated betanidin dyes with a synthetic dye to improve the optoelectronic properties for DSSCs application. The designed sensitisers achieved a broader coverage of the solar spectrum and greater light-harvesting efficiency compared to individual dyes. The attachment of dye complexes to TiO2 cluster and their electronic properties were also analyzed.
MOLECULAR SIMULATION
(2022)
Article
Engineering, Chemical
Mohamed Bourass, Yohann Nicolas, Nuha Wazzan, Mohamed Abarbri, Francois Tran-Van, Thierry Toupance
Summary: This study investigates the potential of six organic compounds based on thiophene and carbazole as hole-injecting layers for OLEDs through theoretical analysis and experimental data verification. The structural and optoelectronic properties of these compounds are determined, indicating their promising candidacy for the realization of light-emitting diodes.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Physical
Rachid Hsissou, Fouad Benhiba, Meriam El Aboubi, Said Abbout, Zakaria Benzekri, Zaki Safi, Mourad Rafik, Hanane Bahaj, Meriyam Kaba, Mouhsine Galai, Nuha Wazzan, Samir Briche, Said Boukhris, Abdelkader Zarrouk, Mohamed EbnTouhami, Mohamed Rafik
Summary: Ecofriendly epoxy resins derivatives GlP and GaP were synthesized and their corrosion protection properties on carbon steel were investigated. The results showed that GlP and GaP have excellent inhibitory efficiency and can effectively prevent chloride ion attack.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Rahul Singh, Dwarika Prasad, Zaki Safi, Nuha Wazzan, Lei Guo
Summary: De-scaling is crucial in maintaining oil flow and reducing economic losses. The study shows that A. houstonianum extract can effectively inhibit corrosion of SS-410 steel, with increasing inhibition efficiency as the concentration increases.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Physical
Nuha Wazzan, Ahmad Irfan, Taghreed M. Fagieh
Summary: According to the report, the power conversion efficiencies of photosensitized solar cells using four natural dyes from Ixora floral were less than 1% due to poor light absorption in the visible and near infrared regions. However, when these dyes were hybridized with graphene quantum dots, the light harvesting efficiency was significantly improved, leading to a higher power conversion efficiency. The study also showed that the nanocomposites formed by the hybridization had better intramolecular charge transfer properties and were able to covalently adsorb on TiO2, resulting in enhanced nonlinear optical properties. This research is important for developing efficient visible light harvesters for dye-sensitized solar cell applications.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
O. Dagdag, R. Haldhar, Seong-Cheol Kim, Zaki. S. Safi, Nuha Wazzan, Ahmed M. Mkadmh, Avni Berisha, Elyor Berdimurodov, Shehdeh Jodeh, Esther E. Nwanna, Ekemini D. Akpan, Eno E. Ebenso
Summary: In this study, a tetra-functional aromatic epoxy pre-polymer, named tetraglycidyl methylenedian-iline (TGMDA), was synthesized and characterized using spectroscopic techniques. The viscosity of the epoxy solution was found to be influenced by temperature and solution concentration. The study also investigated the chemical reactivity, stability, and corrosive property of TGMDA.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Engineering, Electrical & Electronic
Geradius Deogratias, Ohoud S. Al-Qurashi, Nuha Wazzan, Tatiana Pogrebnaya, Alexander Pogrebnoi
Summary: This study investigates the modification of triphenylamine based dyes by replacing sulfur atom with NH, O, Se and Te substituents for better performance in dye-sensitized solar cells. The results showed improved optoelectronic properties with oxygen, selenium, or tellurium substitutes, and more spontaneous charge injection with hydantoin-dyes.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Multidisciplinary Sciences
Zaki S. Safi, Nuha Wazzan
Summary: This study investigates the geometries and nuclear magnetic resonance (NMR) chemical shifts of an azo dye compound and its tautomer. The results show that the prediction accuracy is higher for H-1-NMR chemical shifts compared to C-13-NMR chemical shifts. Among the examined methods, B97D and TPSSTPSS are the most accurate, while M06-2X is the least accurate. The use of TZVP basis sets leads to more accurate predictions.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Multidisciplinary
Nuha Wazzan
Summary: This study uses density functional theory and time-dependent density to investigate the performance of four anthanthrene-based dyes in dye-sensitized solar cells. By calculating the geometrical structures, electronic and optical properties, the influence of the dye's structural features on its performance is studied, and the adsorption behavior of the dyes on TiO2 clusters is explained.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
