Article
Environmental Sciences
Govind Sharma, Saurabh K. Saini, Komal Mulchandani, Amarnath Bheemaraju, Chhagan Lal
Summary: Natural dye-sensitized solar cells (DSSCs) are cost-effective and have a simple fabrication process. The choice of dyes significantly affects their performance. However, there is still a lack of comprehensive research on the photophysics and excited state dynamics of natural dyes used in DSSCs, highlighting the need for further investigation.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Govind Sharma, Chandan Dawo, Komal Mulchandani, Uttam K. Kumawat, R. K. Singhal, Chhagan Lal
Summary: Impedance and modulus spectroscopy were used to study the charge carrier dynamics of N719 dye-sensitized solar cells (DSSC). Significant changes were observed in the low-frequency regime under both light-off and illumination conditions. The N719 DSSC exhibited high performance with a JSC of 10.89 mA/cm2, a VOC of 0.672 V, a fill-factor of 0.65, and a photoconversion efficiency of 4.81%. The Nyquist plots showed small arcs at higher frequencies and large arcs at lower frequencies, indicating deviation from ideal Debye relaxation. The dielectric relaxation followed the interfacial polarization of Maxwell-Wagner type, possibly due to grain boundary effects. Comparative analysis revealed localized carrier relaxation in this N719 DSSC, correlated with conductivity hopping process.
Article
Chemistry, Multidisciplinary
Jacqueline M. Cole, Ulrich F. J. Mayer
Summary: This feature article discusses the fundamental use of materials-characterization methods in determining the structural information of the dye-TiO2 interface in dye-sensitized solar cells (DSCs). It introduces various techniques for obtaining specific structural information on the interface, such as dye anchoring, dye aggregation, and molecular dye orientation. The article emphasizes the importance of acquiring such information for DSC design guidelines and the validation process of design-to-device pipelines.
Article
Materials Science, Multidisciplinary
Geetam Richhariya, Anil Kumar
Summary: The study utilized a combination of two synthetic organic dyes, eosin Y and bromophenol, for dye-sensitized solar cells (DSSCs) and confirmed the properties and purity of the materials through various analysis methods. The results showed that the use of mixed dye significantly enhanced the power conversion efficiency of the photovoltaic cells.
Article
Energy & Fuels
Cheyenne S. Mitchell, Gabrielle M. Perkins, Ian J. McNeil
Summary: The research found that the photocurrent growth and decay in dye sensitized solar cells can be fitted with a biexponential model, and that lithium ions have an impact on the slower lifetime component, but not the faster component. Additionally, comparing different light exposure cycles showed that the shorter lifetime components were more prominent in shorter cycles.
Article
Chemistry, Physical
Xinrui Xie, Yuyan Zhang, Yutong Ren, Lifei He, Yi Yuan, Jing Zhang, Peng Wang
Summary: Overcoming excited-state quenching and interfacial charge recombination is crucial for achieving efficient and durable dye-sensitized solar cells (DSSCs). Cografting a wide-energy-gap adsorbent and a low-energy-gap photosensitizer on a mesoporous titania film improves electron injection, hole injection, and interfacial charge recombination kinetics, leading to increased efficiency.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Nurdan Akdogan, Meryem Alp, Abdullah Atilgan, Ali Disli, Yusuf Erdogdu, Abdullah Yildiz
Summary: In this study, a novel AZO dye with nitrile group as acceptor, -N--N- as π-conjugation spacers, and dimethylaniline as donor was synthesized and its performance in DSSCs was investigated for the first time. Density Functional Theory and Time Dependent Density Functional Theory were used to analyze the electronic and photovoltaic properties of the dye, providing a better understanding of the application of AZO-based dyes in DSSCs.
Article
Materials Science, Multidisciplinary
Samah Alhorani, Sarvesh Kumar, Mahaveer Genwa, P. L. Meena
Summary: This study explores the use of Bael tree leaves as a source for efficient dye extraction for green energy harvesting through DSSCs. The extracted dye shows chlorophyll as the main constituent with high ionic conductivity, enabling efficient power generation in DSSCs under different light sources. The fabricated DSSC using the novel Bael tree leaves-based dye demonstrates promising characteristics for green energy harvesting.
MATERIALS RESEARCH EXPRESS
(2021)
Article
Chemistry, Physical
Yogendra Nath Chouryal, Rahul Kumar Sharma, Neeraj Tomar, Neelam Yadav, Heera Lal Kewat, Ishfaq Abdullah Wani, Sandeep Nigam, Praveen Kumar Surolia, Sri Sivakumar, Pushpal Ghosh
Summary: This study reports on the synthesis of phase pure, cubic BaGdF5:Er/Yb-doped nanocrystals using ionic liquids, which can be used as an absorption layer in dye-sensitized solar cells (DSSCs) to enhance solar energy conversion efficiency. Bright-green and red emissions were observed from the nanoparticles. The DSSCs with BaGdF5:Er3+(1%)/Yb3+(10%)/TiO2 absorption layer achieved the highest photon conversion efficiency of 7.75% and current density of 15.9 mA/cm2, showing a significant enhancement compared to those with only TiO2 layer.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Govind Sharma, Chandan Dawo, Uttam K. Kumawat, Saurabh K. Saini, R. K. Singhal, Chhagan Lal
Summary: In this study, the carrier dynamics of curcumin-based DSSC were investigated using impedance spectroscopy and modulus spectroscopy. The results showed that the dielectric relaxation in curcumin-based DSSC followed the interfacial polarization and the carrier relaxation had a localized type. These findings highlight the importance of research into new materials for sustainable energy technology.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2023)
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
Materials Science, Ceramics
Nicola Sangiorgi, Riccardo Bendoni, Alex Sangiorgi, Lucrezia Aversa, Roberta Tatti, Roberto Verucchi, Alessio Adamiano, Monica Sandri, Anna Tampieri, Alessandra Sanson
Summary: The study investigates the use of titanium-doped hydroxyapatite (TiHA) as a photoanode material for Dye-Sensitized Solar Cells, with characterization of TiHA powders with varying titanium content. Results show high compatibility of TiHA with ruthenium-based dye molecules, and the highest efficiency was achieved with 15 wt% titanium-doped TiHA.
CERAMICS INTERNATIONAL
(2021)
Article
Physics, Multidisciplinary
Taif Saad Al Maadhede, Mohammad Hafizuddin Jumali, Hadi J. Al-Agealy, Chi Chin Yap, Y. Al-Douri
Summary: The effects of different solvents (2,2,2-Trifluoroethanol, 1-propanol, Ethanol and Acetonitrile) on the performance of D149 dye-sensitized ZnO-based solar cells were investigated using a quantum mechanical model. The incorporation of solvents with low transition energies was found to enhance current densities and improve the efficiency of the solar cells. Among the tested solvents, 2,2,2-Trifluoroethanol showed the highest efficiency of 1.662%. Ethanol inclusion had a slightly lower efficiency due to a lower fill-factor, but higher current density. The decrease in open circuit voltage was compensated by the obtained gain in J(sc), leading to maximum efficiency for solar energy conversion.
EUROPEAN PHYSICAL JOURNAL PLUS
(2023)
Article
Materials Science, Coatings & Films
Philipp G. Gruetzmacher, Michael Schranz, Chia-Jui Hsu, Johannes Bernardi, Andreas Steiger-Thirsfeld, Lars Hensgen, Manel Rodriguez Ripoll, Carsten Gachot
Summary: The power conversion efficiency (PCE) of PEB and PUB as sensitizers of dye-sensitized solar cells is investigated using first-principles calculations. Different adsorption models are constructed for PEB/PUB on the TiO2 surface, and their geometrical configurations and electronic properties are optimized. The obtained PCEs confirm the credibility of the current method and predict that PUB and PEB are promising candidate sensitizers for dye-sensitized solar cells.
SURFACE & COATINGS TECHNOLOGY
(2022)
Article
Energy & Fuels
Arup Mahapatra, Prashant Kumar, Jyoti Bhansare, Sri Madhavi Surapaneni, Anik Sen, Basudev Pradhan
Summary: Natural dye extracted from the pericarp of Mallotus phillipensis fruit has been used as a photosensitizer for dye-sensitized solar cells. Density Functional calculations on the natural dye rottlerin showed high electron injection efficiency. The best performing device achieved a power conversion efficiency of 0.55%, demonstrating the potential of this non-toxic, biodegradable natural dye as a cost-effective alternative to synthetic dyes for solar cells.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Kanchan Ulman, Emiliano Poli, Nicola Seriani, Simone Piccinin, Ralph Gebauer
JOURNAL OF CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Estefania German, Ralph Gebauer
APPLIED SURFACE SCIENCE
(2020)
Article
Chemistry, Physical
Hassan Ahmoum, Guojian Li, Yongjun Piao, Shiying Liu, Ralph Gebauer, Mourad Boughrara, Mohd Sukor Su'ait, Mohamed Kerouad, Qiang Wang
Summary: This study investigates the structural, electronic, and magnetic properties of Ni-doped ZnO nanoparticles synthesized using the sol-gel method. Results show that Ni-doped ZnO exhibits ferromagnetic and antiferromagnetic properties within certain Ni concentrations, making it a potential candidate as a diluted magnetic semiconductor.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Multidisciplinary Sciences
Amberley D. Stephens, Muhammad Nawaz Qaisrani, Michael T. Ruggiero, Gonzalo Diaz Miron, Uriel N. Morzan, Mariano C. Gonzalez Lebrero, Saul T. E. Jones, Emiliano Poli, Andrew D. Bond, Philippa J. Woodhams, Elyse M. Kleist, Luca Grisanti, Ralph Gebauer, J. Axel Zeitler, Dan Credgington, Ali Hassanali, Gabriele S. Kaminski Schierle
Summary: Fluorescence in biological systems is often influenced by aromatic groups. In this study, it was found that specific hydrogen bond networks can greatly impact fluorescence, with short hydrogen bonds enhancing optical properties. This research has implications for the design of new photoactive materials with biophotonic applications.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Engineering, Electrical & Electronic
Hassan Ahmoum, Puvaneswaran Chelvanathan, Mohd Sukor Su'ait, Mourad Boughrara, Guojian Li, Ralph Gebauer, Kamaruzzaman Sopian, Mohamed Kerouad, Nowshad Amin, Qiang Wang
Summary: The study investigated the effect of different preheating temperatures on the quality of CZTS thin films, showing that CZTS films preheated at 300 degrees Celsius in N2 ambient conditions demonstrated improved crystallinity, higher electrical conductivity, and a more suitable band gap, making them suitable for solar cell applications.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Materials Science, Multidisciplinary
S. Rostami, N. Seriani, S. A. Ghasemi, R. Gebauer
Summary: In this work, a neural-network potential for TixZr1-xO2 was developed using charge equilibration technique, alongside optimized symmetry functions for training on diverse structures to reproduce the complex energy landscape of mixed materials. The reliability and transferability of the potential were verified through property calculations, and novel crystal structures were discovered for bulk TiZr3O8, TiZrO4, small clusters, and ZrO2 nanoparticles.
PHYSICAL REVIEW MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
S. Rostami, N. Seriani, R. Gebauer
Summary: This study investigates the electronic states of nonstoichiometric hematite films in the presence of absorbed hydrogen and titanium doping. The research reveals that hydrogen and titanium can induce changes in the oxidation state of iron and have local effects on the band structure.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Crystallography
Ralph Gebauer
Summary: Cubic zirconia (c-ZrO2) was investigated using Density Functional Theory with Hubbard-U corrections (DFT+U). It was found that the U-parameters for U(Zr-4d) and U(O-2p) obtained from first principles differed significantly from standard choices. The calculated band gap using these U values showed good agreement with experimental results. Oxygen vacancies were also studied and it was observed that the migration energies obtained using this method closely matched those obtained with a hybrid functional. The presence of two excess electrons localized in the vacancy's cavity resulted in a high barrier for vacancy migration, while a charged vacancy V-O(2+) showed increased mobility due to the absence of localized space charges in the cavity.
Article
Biochemistry & Molecular Biology
Estefania German, Ralph Gebauer
Summary: Density functional theory (DFT) calculations were used to investigate the oxygen evolution reaction (OER) on the edges of monolayer molybdenum disulfide. It was found that the low catalytic performance of this material was attributed to the unfavorable adsorption energies of some reaction intermediates on the MoS2 edge sites. By considering the effects of the surrounding aqueous liquid, the calculated overpotential for the OER was significantly reduced due to the changes in reaction energetics caused by the polar nature of the adsorbed intermediates when surrounded by water. These findings highlight the importance of accounting for solvation effects, especially in aqueous environments and with highly polar intermediates.
Article
Physics, Condensed Matter
Hassan Ahmoum, Guojian Li, Mourad Boughrara, Ralph Gebauer, Mohd Sukor Su'ait, Karim Tanji, Mohamed Kerouad, Qiang Wang
Summary: Cu-doped ZnO was prepared using the sol-gel method, and various techniques were used to investigate the effect of copper impurities on the physical characteristics of p-type ZnO. The results showed that the increase of Cu content led to changes in the orientation and morphology of the films. The highest transmittance was observed at 9 wt% Cu. All doped samples were found to be p-type semiconductors. The presence of a high amount of oxygen vacancies resulted in reduced magnetism.
MICRO AND NANOSTRUCTURES
(2022)
Article
Materials Science, Multidisciplinary
Samira Adimi, Weiliang Qi, Tiju Thomas, Ralph Gebauer, Minghui Yang, Shengping Ruan
Summary: Recent studies have shown that slight surface oxidation of nitrides can enhance their catalytic activity, with the (112) and (200) surfaces of VN identified as the most stable and active. Additionally, a thin oxide layer on the surface can act as an activation layer, improving catalytic performance towards hydrogen adsorption. This research provides valuable insights for the design of enhanced nitride-based catalysts with controlled oxidation of surfaces.
MATERIALS ADVANCES
(2021)
Article
Physics, Condensed Matter
Lodvert Tchibota Poaty, Bernard M'Passi-Mabiala, Ralph Gebauer
COMPUTATIONAL CONDENSED MATTER
(2020)
Article
Chemistry, Multidisciplinary
Imran Ahamed, Nicola Seriani, Ralph Gebauer, Arti Kashyap
Article
Chemistry, Physical
Nandha Kumar, Nicola Seriani, Ralph Gebauer
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Muhammad Nawaz Qaisrani, Luca Grisanti, Ralph Gebauer, Ali Hassanali
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
