Article
Chemistry, Physical
S. Liu, R. Fan, Y. Zhao, M. Yu, L. Li, Q. Li, B. Liang, W. Zhang
Summary: In this study, a relatively less toxic CISSe quantum dot was prepared by an organic high-temperature hot injection method for use in QD-sensitized solar cells. Through Sn doping and ZnS passivation, the electron collection efficiency was improved and charge recombination was inhibited, resulting in a power conversion efficiency of 6.7% for the QDSSC.
MATERIALS TODAY ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Jagriti Tyagi, Himanshu Gupta, L. P. Purohit
Summary: Different photoanodes were prepared on fluorine-doped tin oxide conductive glass substrate using the doctor blade method, with CdS quantum dots deposited by SILAR. The ZnO/TiO2 photoanode achieved higher efficiency compared to bare TiO2 in the QDSSC, with improved electron transport and overall performance. The IPCE for ZnO/TiO2 electrode was approximately 46%, showing enhanced capabilities for photon-to-current conversion.
Article
Chemistry, Physical
Yi Jiang, Qing Wang, Xinchao Wen, Yongbo Yu, Jianfeng Dai
Summary: This study introduced rGO into QDSSC photoanodes to enhance performance by optimizing the built-in electric field in the electrode, leading to a significant improvement in power conversion efficiency.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Energy & Fuels
Roopakala Kottayi, Vignesh Murugadoss, Pratheep Panneerselvam, Ramadasse Sittaramane, Subramania Angaiah
Summary: Cu2AgInS2Se2 alloyed quantum dots were synthesized using a hot injection method, with their structure, optical properties, and composition confirmed through various analyses. The sensitized solar cell using these quantum dots exhibited higher photoconversion efficiency compared to other quantum dots, showcasing their potential for photovoltaic applications.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Yanping Wang, Yusen Yang, Dingke Zhang, Tong Zhang, Shiyi Xie, Yu Zhang, Yong-Biao Zhao, Xiaoyun Mi, Xiuling Liu
Summary: This study reports an exciton sensitizing approach to improve the performance of quantum-dot light-emitting diodes (QLEDs) by forming excitons on a phosphorescent-dye-doped layer and transferring their energies to adjacent quantum-dot layer. The fabricated red QLEDs using this method achieve record high efficiency and good stability.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Danwen Yao, Zhenyu Hu, Ruifeng Zheng, Jialun Li, Liying Wang, Xijia Yang, Wei Lu, Huailiang Xu
Summary: By designing quantum dot-sensitized solar cells with a dual-photoanode architecture and using black TiO2 nanoparticles processed by a femtosecond laser, along with CdS/CdSe QD sensitizers, a maximum power conversion efficiency of 11.7% was achieved. The enhanced efficiency is mainly attributed to the improved light harvesting of black TiO2 due to the black TiO2 shells formed on white TiO2 nanoparticles.
Article
Chemistry, Physical
In-Rok Jo, Young-Hoon Lee, Hyunsoo Kim, Kwang-Soon Ahn
Summary: Nitrogen-doped graphene quantum dots (N-GQDs) play a crucial role in enhancing the performance of quantum dot-sensitized solar cells by boosting light absorption, facilitating electron transportation, and suppressing charge recombination, leading to a significantly improved power conversion efficiency.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Qiong Sun, Baoning Zhang, Yingchao He, Likun Sun, Peng Hou, Zhixing Gan, Liyan Yu, Lifeng Dong
Summary: In this study, a quantum dot sensitized photocatalyst was designed and applied for the purification of dye wastewater. It utilizes black phosphorus nanoparticles as the quantum dots and an inverse opal TiO2 photonic crystal as the main photocatalyst. The photocatalyst exhibited efficient electronic transmission and reduced interfacial resistance, leading to the promotion of active oxidative species production and photo-induced charge transfer through a type-II route. It achieved excellent photocatalytic properties with high apparent kinetic constant and long-term stability.
APPLIED SURFACE SCIENCE
(2023)
Review
Chemistry, Physical
Akash S. Rasal, Sudesh Yadav, Anil A. Kashale, Ali Altaee, Jia-Yaw Chang
Summary: This review discusses the factors influencing the performance stability of QDSSCs and provides insights into the mechanisms causing degraded performances. It also presents cutting-edge strategies for improving the overall performance stability of QDSSCs.
Article
Physics, Multidisciplinary
Zhenbang Dai, Aaron M. Schankler, Lingyuan Gao, Liang Z. Tan, Andrew M. Rappe
Summary: The study focuses on the ballistic current and shift current in the bulk photovoltaic effect, deriving a formula for the ballistic current and calculating it for BaTiO3 using density functional theory. The ballistic current is observed to be comparable in magnitude to the shift current and sensitive to structural changes, which could be beneficial for future photovoltaic material design.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Ning Du, Yingqi Cui, Li Zhang, Mingli Yang
Summary: Electron-hole recombination rates in a QDSSC model depend on the size and shape of the QDs, with a more pronounced effect in polar solvents. Smaller QDs exhibit larger reorganization energy and stronger coupling with the substrate, leading to a higher probability of recombination in a polar solvent. However, the impact of QD size and shape on recombination rates diminishes rapidly in a nonpolar solvent.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Polymer Science
Ravi Prakash, Santanu Das, Pralay Maiti
Summary: Functionalization of multi-walled carbon nanotubes (CNTs) was conducted to obtain CNT-tagged polyurethane (PU-CNT) through ultrasonication, chemical attachment, and chain extension. Spectroscopic techniques confirmed the functionalization of CNTs and polymer and thermal measurements revealed improved thermal stability and conductivity. Quantum dots of CuInS2 were synthesized and characterized for potential use in solar cells. Solar cell devices with Au as counter electrode achieved an enhanced power conversion efficiency of 0.81% due to reduced electron-hole pair recombination and improved hole transportation.
Article
Chemistry, Multidisciplinary
Mitsuaki Yamauchi, Seiya Yamamoto, Sadahiro Masuo
Summary: The study demonstrates a novel supramolecular coassembly system that forms highly ordered QD arrangement structures via self-assembly, enabling photocontrollable photoluminescence properties. The assembled system undergoes structural changes under light, but recovers its original structure and properties over time.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Kai Sellschopp, Gregor B. Vonbun-Feldbauer
Summary: Nature is able to create structurally complex materials with diverse properties using only a few organic compounds and minerals. This study focuses on nanocomposites made from TiO2 and carboxylic-acids, which can serve as a representative example of natural and bio-inspired materials. The research aims to understand the atomistic processes and failure mechanisms at the interfaces of these composites. The findings suggest that the failure at the TiO2/carboxylic-acid interfaces is primarily caused by surface failure rather than molecular de-bonding. The study also provides mechanical properties that can be compared with experimental results for further improvements in these materials.
Article
Chemistry, Multidisciplinary
Kai Sellschopp, Gregor B. Vonbun-Feldbauer
Summary: This study models the stress-strain curves of TiO2/carboxylic-acid interfaces and reveals the failure mechanisms and stress-release mechanisms at the interfaces. The calculated mechanical properties are qualitatively consistent with experimental results, which is important for improving these materials.
Article
Chemistry, Physical
Norberto Manfredi, Matteo Monai, Tiziano Montini, Francesco Peri, Filippo De Angelis, Paolo Fornasiero, Alessandro Abbotto
ACS ENERGY LETTERS
(2018)
Article
Chemistry, Multidisciplinary
Francesco Ambrosio, Julia Wiktor, Filippo De Angelis, Alfredo Pasquarello
ENERGY & ENVIRONMENTAL SCIENCE
(2018)
Article
Chemistry, Multidisciplinary
Daniele Meggiolaro, Silvia G. Motti, Edoardo Mosconi, Alex J. Barker, James Ball, Carlo Andrea Riccardo Perini, Felix Deschler, Annamaria Petrozza, Filippo De Angelis
ENERGY & ENVIRONMENTAL SCIENCE
(2018)
Article
Chemistry, Multidisciplinary
Simone Latini, Enrico Ronca, Umberto De Giovannini, Hannes Huebener, Angel Rubio
Article
Chemistry, Physical
Diego Cesario, Francesca Nunzi, Leonardo Belpassi, Fernando Pirani, Enrico Ronca, Francesco Tarantelli
JOURNAL OF PHYSICAL CHEMISTRY A
(2019)
Article
Chemistry, Physical
Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi-Hao Cui, Janus Juul Eriksen, Yang Gao, Sheng Guo, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D. McClain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robinson, Enrico Ronca, Elvira Sayfutyarova, Maximilian Scheurer, Henry F. Schurkus, James E. T. Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K. Wagner, Xiao Wang, Alec White, James Daniel Whitfield, Mark J. Williamson, Sebastian Wouters, Jun Yang, Jason M. Yu, Tianyu Zhu, Timothy C. Berkelbach, Sandeep Sharma, Alexander Sokolov, Garnet Kin-Lic Chan
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Physics, Multidisciplinary
Mario Motta, Claudio Genovese, Fengjie Ma, Zhi-Hao Cui, Randy Sawaya, Garnet Kin-Lic Chan, Natalia Chepiga, Phillip Helms, Carlos Jimenez-Hoyos, Andrew J. Millis, Ushnish Ray, Enrico Ronca, Hao Shi, Sandro Sorella, Edwin M. Stoudenmire, Steven R. White, Shiwei Zhang
Article
Physics, Multidisciplinary
Tor S. Haugland, Enrico Ronca, Eirik F. Kjonstad, Angel Rubio, Henrik Koch
Article
Chemistry, Physical
Tor S. Haugland, Christian Schaefer, Enrico Ronca, Angel Rubio, Henrik Koch
Summary: This study investigates how strong light-matter coupling can modify intermolecular forces, demonstrating the fundamental role of electron-photon correlation in describing these interactions. By tuning the electromagnetic field inside an optical cavity, ground state properties, solvent effects, and intermolecular interactions can be controlled and manipulated for molecules and materials.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Dominik Sidler, Michael Ruggenthaler, Christian Schaefer, Enrico Ronca, Angel Rubio
Summary: This article provides a brief introduction to the theoretical complexity of polaritonic chemistry and emphasizes the importance of ab initio methods. It proposes novel ideas and research avenues regarding quantum collectivity and resonance phenomena in reaction rates under vibrational strong coupling. A computationally efficient Langevin framework based on quantum electrodynamical density-functional theory is also suggested, revealing cavity-induced non-equilibrium nuclear dynamics. Overall, the latest ab initio results suggest a paradigmatic shift in the understanding of ground-state chemical reactions under vibrational strong coupling.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Rosario R. Riso, Tor S. Haugland, Enrico Ronca, Henrik Koch
Summary: The authors introduce a fully consistent ab-initio method of molecular orbital theory applicable to material systems in quantum electrodynamics environments. The method can be used to predict and explain modifications of molecular properties due to cavity induced effects.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Rosario R. Riso, Tor S. Haugland, Enrico Ronca, Henrik Koch
Summary: This study suggests that there is still an interaction between free electrons and vacuum fields inside an optical cavity, and there is also an interaction between quantized fields and ionized molecules. The study further presents a theoretical framework to explain the field-induced correlation and demonstrates the significant impact of this interaction on the ionization potential of organic molecules.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Multidisciplinary Sciences
Christian Schaefer, Johannes Flick, Enrico Ronca, Prineha Narang, Angel Rubio
Summary: The study reveals the microscopic mechanism behind the reduced reaction rate observed in cavity-induced resonant vibrational strong light-matter coupling using quantum-electrodynamical density-functional theory. The cavity mode acts as a mediator between different vibrational modes, redistributing vibrational energy and ultimately inhibiting the reaction.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Rosario R. Riso, Laura Grazioli, Enrico Ronca, Tommaso Giovannini, Henrik Koch
Summary: The development of efficient techniques to distinguish mirror images of chiral molecules is crucial in chemistry and physics. Enantiomers share similar molecular properties, except for the absorption of circularly polarized light. Purifying enantiomers is challenging and requires specialized equipment. Strong coupling between quantized fields and matter, such as in optical cavities, is a promising method to modify molecular processes noninvasively.
Article
Materials Science, Multidisciplinary
Xiao Wang, Enrico Ronca, Michael A. Sentef