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.
Article
Chemistry, Multidisciplinary
Qing Yun Li, Ravinder Kaur, William E. Meador, Juganta K. Roy, Jerzy Leszczynski, Jared H. Delcamp
Summary: The study demonstrates that organic dyes with a cross-conjugated dibenzosilin double donor design can enhance the performance of solar cells, reduce recombination losses, and provide good surface protection.
Article
Chemistry, Multidisciplinary
Chundan Lin, Yanbing Liu, Di Shao, Guochen Wang, Huiying Xu, Changjin Shao, Wansong Zhang, Zhenqing Yang
Summary: A series of double donor organic dyes, ME101-ME106, designed in this work based on experimentally synthesized dye WD8, show higher stability and electron performance than the single donor dye. Among them, ME106 exhibits potential application value with a smaller energy gap and significant redshift compared to WD8. Results suggest that double donor dyes have stronger electron transfer capability, offering new insights for the design of high efficiency dye-sensitized devices.
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, Physical
Hadar Binyamin, Hanoch Senderowitz
Summary: In this study, pharmacophore modeling was used to identify metal-free dyes for DSSCs through virtual screening, which successfully predicted two potential compounds based on DFT and time-dependent-DFT calculations. These results suggest that pharmacophore models may have important applications as modeling tools in materials sciences.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Yunfei Jiao, Shuaishuai Liu, Zhongjin Shen, Le Mao, Yongjie Ding, Dan Ren, Felix Thomas Eickemeyer, Lukas Pfeifer, Dapeng Cao, Wenjuan Xu, Juan Song, Baoxiu Mi, Zhiqiang Gao, Shaik M. Zakeeruddin, Wei Huang, Michael Gratzel
Summary: Heteroaromatic units are commonly used as pi-spacers for sensitizers in dye-sensitized solar cells. The type of pi-spacer strongly influences the solar to electric power conversion efficiency of organic dyes, with electron-rich pi-spacers leading to higher efficiency. Molecular engineering plays a crucial role in developing high efficiency organic dyes for DSSCs.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Review
Chemistry, Multidisciplinary
Ana Belen Munoz-Garcia, Iacopo Benesperi, Gerrit Boschloo, Javier J. Concepcion, Jared H. Delcamp, Elizabeth A. Gibson, Gerald J. Meyer, Michele Pavone, Henrik Pettersson, Anders Hagfeldt, Marina Freitag
Summary: Dye-sensitized solar cells (DSCs) and dye-sensitized photoelectrochemical cells (DSPECs) have seen a revival in recent years as they offer unique properties such as low cost, non-toxic materials, colorfulness, transparency, and efficiency in low light conditions. This review covers advancements in DSC technology over the past decade, including theoretical studies, characterization techniques, materials, applications, and commercialization efforts by various companies.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Chemistry, Physical
Ching-Chin Chen, Vinh Son Nguyen, Hsiao-Chi Chiu, Yan-Da Chen, Tzu-Chien Wei, Chen-Yu Yeh
Summary: New anthracene-bridged organic dyes CXC12 and CXC22 are designed and synthesized for high-efficiency dye-sensitized solar cells (DSSCs) under dim light. The addition of anthracene-acetylene group in CXC dyes extends the pi-conjugation of the molecules, resulting in improved absorption and molar extinction coefficient. Among the three anthracene-based dyes, CXC22 shows the most appropriate molecular structure for light harvesting and balancing dye loading and molecular aggregation, achieving a remarkable power conversion efficiency of 37.07% under dim-light conditions.
ADVANCED ENERGY MATERIALS
(2022)
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)
Article
Materials Science, Multidisciplinary
Jiaxin Luo, Yuqing Wang, Shaojin Shi, Yuankun Wu, Taochun Ma, Leyao Wang, Glib Baryshnikov, Xinyan Wu, Chengjie Li, Yongshu Xie
Summary: Concerted companion (CC) dyes have been developed by linking the donors of porphyrin and organic dye units. The DSSCs based on the CC dyes XW85 and XW86 show higher J(SC) and PCE compared to the corresponding cosensitization systems. However, the PCEs for XW85 and XW86 are still lower than that of the acceptor-linked reference dye XW76. The study suggests that longer linking chains and avoidance of unfavorable alignments can improve the photovoltaic behavior of CC dyes.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Environmental Sciences
Rania Anoua, Houda Lifi, Samira Touhtouh, Mohamed El Jouad, Abdelowahed Hajjaji, Mina Bakasse, Przemyslaw Plociennik, Anna Zawadzka
Summary: The study investigated the morphological and optical properties of Curcuma longa dye thin film, revealing granular structure and nanotubes shapes. Photoluminescence at low temperature and temperature effect from 77 to 300 K were discussed for the first time. The Curcuma longa dye showed potential for dye-sensitized solar cells with a power conversion efficiency of about 0.86%.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
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
Chemistry, Applied
Shengzhong Li, Shuangyu Zhang, Shu Mei, Xiangfei Kong, Miao Yang, Wenjun Wu, Shuhua Zhang, Haijun Tan
Summary: The novel porphyrin dye T-2 with phenoxazine (POZ) as the donor unit showed significantly higher performance in dyesensitized solar cells compared to T-1. The butterfly-shaped structure and extra alkyl chain of POZ were identified as the main reasons for the improved efficiency observed in the T-2-based device.
Article
Chemistry, Physical
John Marques dos Santos, Ellie Tanaka, Alan A. Wiles, Graeme Cooke, Neil Robertson
Summary: In this study, oligothiophene molecules featuring two anchoring groups that do not possess strong donor moieties and are able to adopt V- and U-shape conformations were synthesized and used for DSSC fabrication. The smaller 5-thiophene dyes (5T2A, 5T2A-E) exhibited higher power conversion efficiencies (PCEs) compared to their larger 8-thiophene counterparts containing diacetylene units (8T4A, 8T4A-E).
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Selvam Prabu, Thamodharan Viswanathan, Ezhumalai David, Sivanadanam Jagadeeswari, Nallasamy Palanisami
Summary: A new set of D-D'-p-p based dyes Fc-(OCH3-Ph)C=CH-CH=CN-R{R=COOH (1) and C6H4-COOH (2)} were synthesized and characterized for DSSC applications. The dyes showed stable thermal properties and efficient charge separation through intramolecular charge transfer. The addition of CDCA as a co-adsorbent improved the photovoltaic performance of the dyes, especially for dye 2 with additional p-linkers and acceptor unit.
Article
Polymer Science
Michael P. Howard, Joshua Lequieu, Kris T. Delaney, Venkat Ganesan, Glenn H. Fredrickson, Thomas M. Truskett
Article
Chemistry, Physical
Jonathan M. Martin, Kris T. Delaney, Glenn H. Fredrickson
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Polymer Science
Joshua Lequieu, Timothy Quah, Kris T. Delaney, Glenn H. Fredrickson
Article
Chemistry, Multidisciplinary
Sohee Park, Ryan Barnes, Yanxian Lin, Byoung-jin Jeon, Saeed Najafi, Kris T. Delaney, Glenn H. Fredrickson, Joan-Emma Shea, Dong Soo Hwang, Songi Han
COMMUNICATIONS CHEMISTRY
(2020)
Article
Chemistry, Physical
Kevin Shen, Nicholas Sherck, My Nguyen, Brian Yoo, Stephan Koehler, Joshua Speros, Kris T. Delaney, Glenn H. Fredrickson, M. Scott Shell
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Polymer Science
Douglas J. Grzetic, Kris T. Delaney, Glenn H. Fredrickson
Summary: Microphase separation in a binary blend of oppositely charged polymers can be stabilized electrostatically, providing a route to control microstructure. The phase behavior is affected by differences in charge density and dielectric constant of the polymers, and specific ordered phases can be stabilized when the minority component has a higher dielectric constant. This system suggests a possible route to large-unit-cell complex-sphere phases.
Article
Biochemistry & Molecular Biology
Saeed Najafi, Yanxian Lin, Andrew P. Longhini, Xuemei Zhang, Kris T. Delaney, Kenneth S. Kosik, Glenn H. Fredrickson, Joan-Emma Shea, Songi Han
Summary: The driving force for both Tau complex coacervation and self-coacervation is electrostatic interactions between Tau-RNA or Tau-Tau macromolecules. Liquid condensates formed by complex coacervation show higher micro-viscosity and thermal stability compared to those formed by self-coacervation. Different types of Tau condensates with distinct micro-viscosity can coexist as persistent and immiscible entities in solution under various solution conditions.
Article
Polymer Science
Nicholas Sherck, Kevin Shen, My Nguyen, Brian Yoo, Stephan Kohler, Joshua C. Speros, Kris T. Delaney, M. Scott Shell, Glenn H. Fredrickson
Summary: This method leverages all-atom molecular dynamics to inform coarser field-theoretic models, successfully predicting experimental PEO cloud-point curves without fitting parameters to experimental data. This multiscale simulation approach opens up new avenues for studying phase behavior across different polymer solutions and melt formulations.
Article
Chemistry, Physical
Logan J. Case, Kris T. Delaney, Glenn H. Fredrickson, Frank S. Bates, Kevin D. Dorfman
Summary: Efficient exploration of large design spaces is crucial for the development of new functional materials, including self-assembling block polymers. This open-source software package combines particle swarm optimization with self-consistent field theory for inverse design of block polymers, using algorithmically generated initial fields for computation. The software's robustness is demonstrated through searches for various phases in diblock systems.
EUROPEAN PHYSICAL JOURNAL E
(2021)
Article
Chemistry, Physical
Wei Li, Kris T. Delaney, Glenn H. Fredrickson
Summary: The study developed a SCFT method to investigate polymer-mediated colloidal interactions, focusing on depletion effects and exploring mean-field interactions under different physical conditions. The results demonstrated good agreement with previous studies and experiments, extending the work to new regimes and discussing the mechanisms of attraction and repulsion along with the influence of individual factors.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Computer Science, Interdisciplinary Applications
Yao Xuan, Kris T. Delaney, Hector D. Ceniceros, Glenn H. Fredrickson
Summary: A new framework using data obtained from SCFT simulations and deep learning is introduced to accelerate the exploration of parameter space for block copolymers. The method focuses on learning an approximation to the effective Hamiltonian and predicting saddle density fields, while ensuring invariance under shifts and rotations. Data-enhancing techniques and appropriate regularization are used to achieve this invariance.
JOURNAL OF COMPUTATIONAL PHYSICS
(2021)
Article
Polymer Science
Daniel L. Vigil, Kris T. Delaney, Glenn H. Fredrickson
Summary: A variety of field-update algorithms for polymer SCFT and FTS were examined, with a comparison showing comparable performance between Anderson mixing and fictitious relaxational dynamics in SCFT. Predictor-corrector algorithms were found to be the most efficient among fictitious dynamics approaches. Adaptive time stepping significantly improved algorithm stability for inhomogeneous systems in FTS simulations.
Article
Chemistry, Physical
Mukul D. Tikekar, Kris T. Delaney, Michael C. Villet, Douglas R. Tree, Glenn H. Fredrickson
Summary: A phase-field framework is used to model the dynamics of reaction kinetics, diffusion, and thermodynamics in reactive blending of polymers. The microstructure and reaction rate of the blend are found to be affected by the immiscibility, transport, and compatibility of the polymers. The study shows that for irreversibly reacting blends, the microstructure evolves through various morphologies depending on the Flory chi parameter, while for reversible reactions, the equilibrium composition depends on the equilibrium constant and chi parameter. The phase-field models provide a useful tool to understand the complex interplay of thermodynamic and kinetic effects in polymer blending.
Article
Polymer Science
Daniel L. Vigil, Timothy Quah, Dan Sun, Kris T. Delaney, Glenn H. Fredrickson
Summary: Using self-consistent field theory, the phase boundaries between periodic microphases for linear, comb-like, and bottlebrush diblock copolymers were mapped, revealing a universal phase diagram for sphere phases including A15 and sigma phases. However, a transition from comb-like to bottlebrush scaling with architectural parameter variation was not observed.
Article
Chemistry, Physical
Rajarshi Sengupta, Mukul D. Tikekar, Kris T. Delaney, Michael C. Villet, Glenn H. Fredrickson
Summary: This study investigates the reactive blending process in layered films of immiscible polymers using a phase field model, and reveals that interface roughening leads to spontaneous emulsification. The reaction rate, film thickness, and interaction parameter all influence the system dynamics and interface morphology evolution.