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Preparation and characterization of high efficiency hybrid organic-inorganic thin film solar cells

English title Preparation and characterization of high efficiency hybrid organic-inorganic thin film solar cells
Applicant Chergui Majed
Number 154056
Funding scheme NRP 70 Energy Turnaround
Research institution Laboratoire de spectroscopie ultrarapide EPFL - SB - ISIC - LSU
Institution of higher education EPF Lausanne - EPFL
Main discipline Physical Chemistry
Start/End 01.10.2014 - 31.12.2018
Approved amount 1'001'027.00
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All Disciplines (2)

Discipline
Physical Chemistry
Inorganic Chemistry

Keywords (8)

perovskite; theory; solar cells; charge dynamics; ultrafast; hybrid; first principles; spectroscopy

Lay Summary (French)

Lead
Les pérovskites sont de nouveaux matériaux pour la conversion de la lumière solaire en électricité. Ils ont l’avantage d’un coût réduit par rapport aux cellules à base de silicium ou les cellules sensibilisées par colorants. Toutefois, afin d’atteindre les efficacités de conversion des premières, il est important de caractériser en détail les mécanismes de conversion de lumière en charge électriques (électrons et trous) ainsi que la migration et éventuellement, le piégeage de ces dernières, et leur comportement aux interfaces. Ces éléments permettent d’optimiser la fabrication des cellules, afin d’atteindre une efficacité maximale. Dans le cadre de ce projet, nous combinons la fabrication des pérovskites avec des techniques de caractérisation de pointe, résolues en temps et en espace, et des simulations avancées afin d’identifier les paramètres cruciaux dans la conversion d’énergie solaire.
Lay summary

Ce projet a pour but la fabrication et l’optimisation d’une nouvelle classe de matériaux, les pérovskites, pour la conversion d’énergie solaire en électricité. Afin d’en optimiser l’efficacité de conversion, il est important de comprendre comment les charges (électrons et trous) sont générées par la lumière, et comment elles migrent vers les électrodes. Nous combinerons des méthodes spectroscopiques de pointe résolues en temps avec des modélisations théoriques afin de guider la préparation chimique des cellules, dans le but d’atteindre des efficacités de conversion supérieures à 15%. La fabrication sera basée sur des processus de déposition à partir de la phase vapeur. La caractérisation a pour but de décrire la génération d’électrons et de trous, leur migration vers et leur piégeage aux interfaces, par le biais de spectroscopies optiques et X résolues en temps (de la femtoseconde à la nanoseconde). La modélisation des matériaux fournira une compréhension intime des processus optiques et électroniques fondamentaux à la base du fonctionnement des cellules. Les simulations dépendantes du temps permettront de simuler la relaxation de charge et leur transport en temps réel.

Compte tenu de la nouveauté de ces études, nous procéderons de manière graduelle, en nous concentrant d’abord sur la dynamique des porteurs de charge dans les pérovskites pure du type CH3NH3PbI3, avant d’aborder l’étude de la dynamique interfaciale, qui est importante dans les cellules.

Direct link to Lay Summary Last update: 26.09.2014

Responsible applicant and co-applicants

Employees

Publications

Publication
Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO 2 Nanoparticles
Baldini Edoardo, Palmieri Tania, Dominguez Adriel, Ruello Pascal, Rubio Angel, Chergui Majed (2018), Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO 2 Nanoparticles, in Nano Letters, 18(8), 5007-5014.
Hysteresis-Free Lead-Free Double-Perovskite Solar Cells by Interface Engineering
Pantaler Martina, Cho Kyung Taek, Queloz Valentin I. E., García Benito Inés, Fettkenhauer Christian, Anusca Irina, Nazeeruddin Mohammad Khaja, Lupascu Doru C., Grancini Giulia (2018), Hysteresis-Free Lead-Free Double-Perovskite Solar Cells by Interface Engineering, in ACS Energy Letters, 3(8), 1781-1786.
Clocking the Ultrafast Electron Cooling in Anatase Titanium Dioxide Nanoparticles
Baldini Edoardo, Palmieri Tania, Pomarico Enrico, Auböck Gerald, Chergui Majed (2018), Clocking the Ultrafast Electron Cooling in Anatase Titanium Dioxide Nanoparticles, in ACS Photonics, 5(4), 1241-1249.
Selective growth of layered perovskites for stable and efficient photovoltaics
Cho Kyung Taek, Grancini Giulia, Lee Yonghui, Oveisi Emad, Ryu Jaehoon, Almora Osbel, Tschumi Manuel, Schouwink Pascal Alexander, Seo Gabseok, Heo Sung, Park Jucheol, Jang Jyongsik, Paek Sanghyun, Garcia-Belmonte Germà, Nazeeruddin Mohammad Khaja (2018), Selective growth of layered perovskites for stable and efficient photovoltaics, in Energy & Environmental Science, 11(4), 952-959.
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
Baldini E., Chiodo L., Dominguez A., Palummo M., Moser S., Yazdi-Rizi M., Auböck G., Mallett B.P.P., Berger H., Magrez A., Bernhard C., Grioni M., Rubio A., Chergui M. (2017), Strongly bound excitons in anatase TiO2 single crystals and nanoparticles, in Nature Communications, 8(1), 13-13.
Interfacial Electron Injection Probed by a Substrate-Specific Excitonic Signature
Baldini Edoardo, Palmieri Tania, Rossi Thomas, Oppermann Malte, Pomarico Enrico, Auböck Gerald, Chergui Majed (2017), Interfacial Electron Injection Probed by a Substrate-Specific Excitonic Signature, in Journal of the American Chemical Society, 139(33), 11584-11589.
Anomalous anisotropic exciton temperature dependence in rutile TiO2
Baldini Edoardo, Dominguez Adriel, Chiodo Letizia, Sheveleva Evgeniia, Yazdi-Rizi Meghdad, Bernhard Christian, Rubio Angel, Chergui Majed (2017), Anomalous anisotropic exciton temperature dependence in rutile TiO2, in Physical Review B, 96(4), 041204-041204.
Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy
Santomauro Fabio G., Grilj Jakob, Mewes Lars, Nedelcu Georgian, Yakunin Sergii, Rossi Thomas, Capano Gloria, Al Haddad André, Budarz James, Kinschel Dominik, Ferreira Dario S., Rossi Giacomo, Gutierrez Tovar Mario, Grolimund Daniel, Samson Valerie, Nachtegaal Maarten, Smolentsev Grigory, Kovalenko Maksym V., Chergui Majed (2017), Localized holes and delocalized electrons in photoexcited inorganic perovskites: Watching each atomic actor by picosecond X-ray absorption spectroscopy, in Structural Dynamics, 4(4), 044002-044002.
Molecularly Engineered Phthalocyanines as Hole-Transporting Materials in Perovskite Solar Cells Reaching Power Conversion Efficiency of 17.5%
Cho Kyung Teak, Trukhina Olga, Roldán-Carmona Cristina, Ince Mine, Gratia Paul, Grancini Giulia, Gao Peng, Marszalek Tomasz, Pisula Wojciech, Reddy Paidi Y., Torres Tomás, Nazeeruddin Mohammad Khaja (2017), Molecularly Engineered Phthalocyanines as Hole-Transporting Materials in Perovskite Solar Cells Reaching Power Conversion Efficiency of 17.5%, in Advanced Energy Materials, 7(7), 1601733-1601733.
Highly efficient perovskite solar cells with a compositionally engineered perovskite/hole transporting material interface
Cho Kyung Taek, Paek Sanghyun, Grancini Giulia, Roldán-Carmona Cristina, Gao Peng, Lee Yonghui, Nazeeruddin Mohammad Khaja (2017), Highly efficient perovskite solar cells with a compositionally engineered perovskite/hole transporting material interface, in Energy & Environmental Science, 10(2), 621-627.
Beneficial Role of Reduced Graphene Oxide for Electron Extraction in Highly Efficient Perovskite Solar Cells
Cho Kyung Taek, Grancini Giulia, Lee Yonghui, Konios Dimitrios, Paek Sanghyun, Kymakis Emmanuel, Nazeeruddin Mohammad Khaja (2016), Beneficial Role of Reduced Graphene Oxide for Electron Extraction in Highly Efficient Perovskite Solar Cells, in ChemSusChem, 9(21), 3040-3044.
A molecularly engineered hole-transporting material for efficient perovskite solar cells
M. Saliba et al. (2016), A molecularly engineered hole-transporting material for efficient perovskite solar cells, in Nature Energy, 1, 15017.
Entropic stabilization of mixed A-cation ABX(3) metal halide perov-skites for high performance perovskite solar cells,
C. Yi J. Luo S. Meloni A. Boziki N. Ahsari-Astani C. Graetzel S. M. Zakeeruddin U. Rothlisber (2016), Entropic stabilization of mixed A-cation ABX(3) metal halide perov-skites for high performance perovskite solar cells,, in Energy & Environmental , Science 9, 656-662.
Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells
S. Meloni T. Moehl W. Tress M. Franckevicius M. Saliba Y.H. Lee P. Gao M.K. Nazeeruddin U. R (2016), Ionic polarization-induced current-voltage hysteresis in CH3NH3PbX3 perovskite solar cells, in Nature Comm. , 7, 10334.

Collaboration

Group / person Country
Types of collaboration
Prof. A. Rubio, Max-Planck Inst., Hamburg Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Exchange of personnel
Paul-Scherrer-Institut, Swiss Light Source Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure
- Exchange of personnel
Prof. M. Grioni, EPFL Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure
- Exchange of personnel
Prof. F. Jahnke, Univ. Bremen Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Advanced Research Division, Materials Research Laboratory, Panasonic Corporation Japan (Asia)
- Industry/business/other use-inspired collaboration
Prof. M. Kovalenko/ETH-Zürich Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Prof. Michael Graetzel/EPFL Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Istituto di Scienze e Tecnologie Molecolari del Consiglio Nazionale delle Ricerche, CNR-ISTM, Milan Italy (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure
Dr Ana Akrap/Université de Genève Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure
Qatar Environment and Energy Research Institute (QEERI), Qatar Qatar (Asia)
- in-depth/constructive exchanges on approaches, methods or results
- Industry/business/other use-inspired collaboration
Prof. N. Marzari, EPFL Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Exchange of personnel

Scientific events

Active participation

Title Type of contribution Title of article or contribution Date Place Persons involved
ACS National Meeting - Symposium on MultiScales Sessions – Multiscale Chemistry: Energy, San Diego, USA Talk given at a conference Multiple Time Step Schemes for First-Principles Based Multiscale Simulations 13.03.2016 San Diego, United States of America Nazeeruddin Mohammad Khaja; Röthlisberger Ursula;
Psi-K Conference 2015 Talk given at a conference Origin of Hysteresis in Hybrid Lead Halide Perovskites 06.09.2015 Barcelone, Spain Röthlisberger Ursula;
CECAM workshop on “Perovskite solar cells: the quest for a theoretical description” Talk given at a conference What’s so Special about Hybrid Halide Perovskites? 25.08.2015 Lausanne, Switzerland Röthlisberger Ursula;
Symposium in Honor of Wanda Andreoni Talk given at a conference Computational Modelling of Photovoltaic Materials 06.02.2015 Lausanne, Switzerland Röthlisberger Ursula;
9th International Conference on Computational Physics at the National University of Singapore Talk given at a conference QM/MM Simulations in Ground and Excited States 06.01.2015 Singapore, Indonesia Röthlisberger Ursula;


Knowledge transfer events

Active participation

Title Type of contribution Date Place Persons involved
A poster for the general public is on display Poster 01.06.2016 Lausanne, Switzerland Nazeeruddin Mohammad Khaja;
QEERI meeting Poster 01.05.2016 Qatar, Qatar Nazeeruddin Mohammad Khaja;


Communication with the public

Communication Title Media Place Year
Media relations: print media, online media Billige Sonnenenergie Zürcher Oberländer - accès limité EPFL German-speaking Switzerland 2016
Media relations: print media, online media Billige Sonnenenergie Berner Zeitung - Accès limité EPFL German-speaking Switzerland 2016
Media relations: print media, online media Cellules solaires moins chères et plus efficaces Le Matin Western Switzerland 2016
Media relations: print media, online media Coming, cheaper solar cells with greater efficiency Cambodian Times International 2016
Media relations: print media, online media Des cellules solaires moins chères et plus efficaces L'Hebdo Western Switzerland 2016
Media relations: radio, television des Cellules solaires moins chères et plus efficaces Radio fréquence Jura Western Switzerland 2016
Media relations: print media, online media http://www.romandie.com/news/EPFL-des-cellules-solaires-moins-cheres-et-plus-efficaces_RP/668186.rom Romandie.com Western Switzerland 2016
Media relations: print media, online media Neue Solarzellen 20 Minuten German-speaking Switzerland 2016
Media relations: print media, online media Neues Material verspricht Sonnenenergie zum Billigtarif Der Bund - Avccès limité EPFL German-speaking Switzerland 2016
Media relations: print media, online media Solarenergie Neues Material verspricht Sonnenenergie zum Billigtarif Tages-Anzeiger - Accès limité EPFL German-speaking Switzerland 2016
Media relations: print media, online media Yes, Solar Can Go Lower (Perovskite Solar Cells, That Is) Clean Technica International 2016

Awards

Title Year
Earle K. Plyler Award (American Physical Society) Edward Stern Award (International X-ray Absorption Society-IXAS) Fellow of the European Physical Society Fellow of the American Physical Society 2015

Patents

Title Date Number Inventor Owner
Functional hole transporting material 01.06.2016 European Patent Application No. 151739936.4

Associated projects

Number Title Start Funding scheme
172929 Tailored Design and in-depth understanding of perovskite solar materials using in-house developed 3D/4D nanoscale ion-beam analysis 01.11.2017 Project funding (Div. I-III)

Abstract

The present proposal aims at the fabrication of perovskite materials for solar cells and their characterization by cutting-edge time-resolved spectroscopic tools and theoretical modelling. It brings together leading research groups within EPFL having excellent complementary background for developing and investigating high efficiency hybrid organic-inorganic thin film solid-state perovskite solar cells to enhance the power conversion efficiency beyond 15%. In terms of fabrication, the strategy is to concentrate on samples prepared by dual-Source vapour deposition, two-step vapour deposition, and vapour-assisted solution processing methods (Dr. M. K. Nazeeruddin, EPFL Valais). The characterization aims at assessing the important aspects of the cell operation such as the exciton generation, migration and dissociation, or the equivalent for free charges, as well as electron and hole transfer at interfaces using time-resolved optical and core-level spectroscopies from femtoseconds (fs)/picoseconds (ps) to the nanoseconds (Prof. M. Chergui). Photoluminescence and transient absorption studies will be used to identify the global charge carrier dynamics. For a finer identification of the fate of charge carriers (holes and electrons), fs/ps X-ray absorption spectroscopy and electron-energy-loss-spectroscopy (EELS) will be used. These studies will be carried out on pure perovskite materials and on the complete cell. First principles materials and device modelling (Prof. Ursula Roethlisberger) will provide a comprehensive understanding of the fundamental optical and electronic processes occurring in the materials and the operation of the complete devices. In particular, density functional theory (DFT) and time-dependent DFT (TDDFT) electronic structure calculations will be performed to characterize the structural, electronic and optical properties of perovskite crystals and of their interfaces with the electron/hole blocking materials. Time-propagation TDDFT (TP-TDDFT) will be used for simulating charge relaxation and transport, as well as the interfacial charge injection (electrons or holes). Because of the novelty of these studies, we will proceed in a step-wise fashion, first concentrating on the charge carrier dynamics in pure perovskites of the type CH3NH3PbI3, prior to investigating the important interfacial dynamics. The ambitious goal of the project is to take the perovskite-based solar cell beyond the present day performance by a detailed experimental and theoretical understanding of the charge separation mechanisms. This know-how will feedback into the design and optimization of the solar cells. This will be achieved by: i) developing new, ideally optimized materials, perovskite absorbers and hole-conductors; ii) probing and understanding the fundamental processes occurring in the materials and in operational solar cells to give a rational approach to the design and; iii) implementation of new materials delivering improved performance of 18% or more.
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