Project

Back to overview

Impact of composition and nanometer scale DISorder in transparent Conductive Oxides: a new route to design materials with enhanced transport properties (DisCO)

English title Impact of composition and nanometer scale DISorder in transparent Conductive Oxides: a new route to design materials with enhanced transport properties (DisCO)
Applicant Ballif Christophe
Number 154474
Funding scheme Sinergia
Research institution Institut de microtechnique EPFL - STI - IMT
Institution of higher education EPF Lausanne - EPFL
Main discipline Material Sciences
Start/End 01.01.2015 - 31.01.2019
Approved amount 1'233'163.00
Show all

All Disciplines (2)

Discipline
Material Sciences
Condensed Matter Physics

Keywords (4)

in situ TEM; Transparent conductive oxide; Charge transport modelling; Macroelectronics

Lay Summary (French)

Lead
Les dispositifs opto-électroniques ont connu une évolution considérable ces dix dernières années, et sont devenus de plus en plus efficaces tout en étant de plus en plus légers, transportables ou même parfois totalement transparents. Ils sont destinés à des applications telles qu'écrans plats, cellules solaires, détecteurs de rayons x ou diodes électroluminescentes. Cependant, ces applications nécessitent de constants développements afin d'élaborer de nouveaux matériaux de type oxydes transparents conducteurs (TCOs) ayant de bonnes propriétés de transparence et conductivité, mais également présentant une excellente homogénéité et une bonne résistance mécanique ou alors une grande flexibilité. De plus, leur production nécessite l'usage de matériaux abondants et non toxiques, en substitution l'indium par exemple, qui est largement utilisé dans ce type de dispositifs.Le projet DisCo se propose d'évaluer de nouveaux TCOs respectant l'ensemble de ces propriétés.
Lay summary

Contenu et objectifs du travail de recherche

Ce projet s'articule sur la synergie entre trois sous-projets complémentaires: le premier sera dédié à l'élaboration de nouveaux matériaux transparents conducteurs désordonnés et à la caractérisation de leurs propriétés optiques et électroniques, le second à leur  caractérisation microstructurale et le troisième aux simulations et prédictions des structures électroniques considérées. La comparaison entre les modèles élaborés et les données expérimentales obtenues permettront de décrire les mécanismes de transport des porteurs de charge des matériaux développés. Un processus itératif d'interaction entre les trois sous-projets et les quatre groupes impliqués permettra la prédiction et la réalisation de matériaux aux propriétés optimisées selon les applications souhaitées (p.ex. flexibilité, transparent dans le visible et/ou l'infra-rouge, mais avec un accent particulier sur les propriétés électrique).

 

Contexte scientifique et social du projet de recherche

Ce projet ambitionne une nouvelle percée dans la compréhension fondamentale des mécanismes de transport électronique dans les oxydes transparents conducteurs désordonnés, en particulier par l'étude de l'impact des défauts et des conditions de croissance sur les propriétés du matériau. Jusqu'alors, de nombreuses recherches ont déjà montré le potentiel de ces matériaux mais de façon empirique pour la plupart des cas. La compréhension fondamentale des mécanismes régissant les propriétés de ces matériaux permettra de prédire de façon efficace et ensuite d'élaborer de nouveaux matériaux basés sur des composants abondants, non toxiques et bon marchés. Ceci pourrait avoir un impact technologique considérable sur le marché des dispositifs micro-électroniques transparents et du photovoltaïque.

 

Direct link to Lay Summary Last update: 30.01.2015

Responsible applicant and co-applicants

Employees

Publications

Publication
Zr-doped indium oxide electrodes: Annealing and thickness effects on microstructure and carrier transport
Rucavado Esteban, Landucci Federica, Döbeli Max, Jeangros Quentin, Boccard Mathieu, Hessler-Wyser Aïcha, Ballif Christophe, Morales-Masis Monica (2019), Zr-doped indium oxide electrodes: Annealing and thickness effects on microstructure and carrier transport, in Physical Review Materials, 3(8), 084608-084608.
Towards bipolar tin monoxide: Revealing unexplored dopants
Graužinytė Miglė, Goedecker Stefan, Flores-Livas José A. (2018), Towards bipolar tin monoxide: Revealing unexplored dopants, in Physical Review Materials, 2(10), 104604-104604.
A passivating contact for silicon solar cells formed during a single firing thermal annealing
Ingenito Andrea, Nogay Gizem, Jeangros Quentin, Rucavado Esteban, Allebé Christophe, Eswara Santhana, Valle Nathalie, Wirtz Tom, Horzel Jörg, Koida Takashi, Morales-Masis Monica, Despeisse Matthieu, Haug Franz-Josef, Löper Philipp, Ballif Christophe (2018), A passivating contact for silicon solar cells formed during a single firing thermal annealing, in Nature Energy, 3(9), 800-808.
New Route for “Cold-Passivation” of Defects in Tin-Based Oxides
Rucavado Esteban, Graužinytė Miglė, Flores-Livas José A., Jeangros Quentin, Landucci Federica, Lee Yeonbae, Koida Takashi, Goedecker Stefan, Hessler-Wyser Aïcha, Ballif Christophe, Morales-Masis Monica (2018), New Route for “Cold-Passivation” of Defects in Tin-Based Oxides, in The Journal of Physical Chemistry C, 122(31), 17612-17620.
Computational screening of useful hole-electron dopants in SnO2
Graužinytė Migle, Goedecker Stefan, Flores-Livas José (2017), Computational screening of useful hole-electron dopants in SnO2, in Chemistry of Materials, 29(23), 10095-10103.
Enhancing the optoelectronic properties of amorphous zinc tin oxide by subgap defect passivation : A theoretical and experimental demonstration
Rucavado Esteban, Jeangros Quentin, Urban Daniel F., Holovský Jakub, Remes Zdenek, Duchamp Martial, Landucci Federica, Dunin-Borkowski Rafal, Körner Wolfgang, Elsässer Christian, Hessler-Wyser Aïcha, Morales-Masis Monica (2017), Enhancing the optoelectronic properties of amorphous zinc tin oxide by subgap defect passivation : A theoretical and experimental demonstration, in Physical Review B, 95(245204), 1-10.
Transparent Electrodes for Efficient Optoelectronics
De Wolf Stefaan, Ager Joel W., Morales-Masis Monica, Woods-Robinson Rachel, Ballif Christophe (2017), Transparent Electrodes for Efficient Optoelectronics, in Advanced Electronic Materials, (1600529), 1-17.
High performance amorphous Zn-Sn-O: impact of composition, microstructure, and thermal treatments in the optoelectronic properties
Morales-Masis Monica, Rucavado Esteban, Jeangros Quentin, Landuchi Federica, Hessler-Wyser Aïcha, Ballif Christophe (2017), High performance amorphous Zn-Sn-O: impact of composition, microstructure, and thermal treatments in the optoelectronic properties, in SPIE OPTO, 1.
Zinc tin oxide as high-temperature stable recombination layer for mesoscopic perovskite/silicon monolithic tandem solar cells
Werner Jérémie, Moon Soo-Jin, Sacchetto Davide, Rienaecker Michael, Peibst Robby, Brendel Rolf, Niquille Xavier, De Wolf Stefaan, Löper Philipp, Morales-Masis Monica, Nicolay S., Niesen Bjoern, Walter Arnaud, Esteban Rucavado, Ballif Christophe (2016), Zinc tin oxide as high-temperature stable recombination layer for mesoscopic perovskite/silicon monolithic tandem solar cells, in Applied Physics Letters, 109, 233902-1-233902-4.
An Indium-Free Anode for Large-Area Flexible OLEDs: Defect-Free Transparent Conductive Zinc Tin Oxide
Morales-Masis Monica, Dauzou Fabien, Dabirian Ali, Lifka Herbert, Ruske Manfred, Moet Date, Hessler-Wyser Aïcha, Ballif Christophe, Jeangros Quentin, Gierth Rainald (2016), An Indium-Free Anode for Large-Area Flexible OLEDs: Defect-Free Transparent Conductive Zinc Tin Oxide, in Advanced Functional Materials, 26, 384-392.

Collaboration

Group / person Country
Types of collaboration
Group of Prof. R. Bittl, Freie Universität Berlin Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
Ernst Ruska-Center, Jülich Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
- Research Infrastructure
- Exchange of personnel
Fraunhofer Institute for Mechanics of Materials Germany (Europe)
- in-depth/constructive exchanges on approaches, methods or results
- Publication
Swiss Center for Electronics and Microtechnology Switzerland (Europe)
- in-depth/constructive exchanges on approaches, methods or results
Advanced Industrial Science and Technology Japan (Asia)
- in-depth/constructive exchanges on approaches, methods or results
- Exchange of personnel

Scientific events

Active participation

Title Type of contribution Title of article or contribution Date Place Persons involved
Marvel Junior Retreat Talk given at a conference Enhancing materials properties via targeted doping 18.07.2018 Fieschertal , Switzerland Grauzinyte Miglè;
Marvel Annual Meeting Poster Search for effective electric dopants in SnO2 based TCO's 10.04.2018 Lausanne, Switzerland Grauzinyte Miglè;
Materials Research Society Talk given at a conference An In Situ Multi-Technique Approach to Assess the Thermal Stability of Tin-Based Transparent Conductive Oxides 02.04.2018 Phoenix, United States of America Landucci Federica;
Materials Research Society Poster Zirconium-doped indium oxide: pushing the optoelectronic properties of sputtered transparent conductive oxides to the limits. 02.04.2018 Phoenix, United States of America Rucavado Esteban;
Materials Research Society Talk given at a conference Subgap Defects in High-Mobility Amorphous Transparent Conductive Oxides—Origin and Passivation Strategies 02.04.2018 Phoenix, United States of America Rucavado Esteban;
American Physical Society Meeting Talk given at a conference Computational search for useful hole-electron dopants in SnO and SnO2 05.03.2018 Los Angeles, United States of America Grauzinyte Miglè;
European Materials Research Society Talk given at a conference Unraveling and tuning defects in tin-based transparent conductive oxides 18.09.2017 Warsaw, Poland Rucavado Esteban;
Microscopy Congress Poster Thermal stability of Zn-Sn-O: correlation between optoelectronic properties and microstructure 21.08.2017 Lausanne, Switzerland Landucci Federica; Jeangros Quentin;
Microscopy Congress Talk given at a conference Tracking ionic migration in organic-inorganic metal-halide perovskite solar cells by in situ and ex situ TEM techniques 21.08.2017 Lausanne, Switzerland Jeangros Quentin;
Marvel Junior Retreat, Ticino, poster presentation Poster Defects in rutile SnO2 03.07.2017 Lugano, Switzerland Grauzinyte Miglè;
Workshop on Charge Trapping Defects in Semiconductors and Insulators Talk given at a conference Defects in rutile SnO2 20.03.2017 York, Great Britain and Northern Ireland Grauzinyte Miglè;
The 6th international symposium on transparent conductive materials Talk given at a conference Correlation between sub-gap states and optoelectronic properties of amorphous zinc tin oxide 09.10.2016 Crete, Greece Rucavado Esteban;
European Microscopy Congress Poster The microstructure of ZnSnO and its correlation to electrical and optical properties 28.08.2016 Lyon, France Jeangros Quentin; Landucci Federica;
European Microscopy Congress Poster In situ TEM analysis of structural changes in metal-halide perovskite solar cells under electrical bias 28.08.2016 Lyon, France Jeangros Quentin;
Microscopy and Microanalysis Poster High temperature stability of amorphous Zn-Sn-O transparent conductive oxides investigated by in situ TEM and X-ray diffraction 24.07.2016 Columbus, United States of America Jeangros Quentin;


Communication with the public

Communication Title Media Place Year
Talks/events/exhibitions R&D in photovoltaics in Neuchâtel Western Switzerland 2018

Awards

Title Year
Best ​student oral presentation at the European Fall MRS Meeting (E-MRS Fall) 2017

Associated projects

Number Title Start Funding scheme
182877 Development of a Neural Network Potential with Accurate Electrostatic Interactions 01.04.2019 Project funding
157726 Micro-Raman and photo-luminescence spectrometer 01.12.2014 R'EQUIP

Abstract

In the past 10 years we have experienced a revolution in optoelectronic devices, which are becoming more efficient, lighter, in some cases wearable or even fully transparent. This includes ubiquitous flat-panels displays, solar cells, x-ray detectors. This trend demands a rapid development of new Transparent Conductive Oxide (TCOs) materials (which are used as transparent electrode in most optoelectronic devices) with not only the basic requirements of transparency and conductivity, but also properties like homogeneity (e.g to avoid grain boundaries when used in transistors) and mechanical robustness or flexibility when used in bendable devices. The extensive application of TCOs also requires the use of earth-abundant materials for their production, and therefore the replacement of, for example the rather rare metal indium (In).With the ultimate goal of designing and discovering new TCO materials, this collaborative project aims at bridging the gap between material processing, material simulation and material characterization, to understand the factors affecting the charge transport in disordered or “amorphous” TCOs. This will make possible the design and synthesize of new earth-abundant TCO materials with superior electrical, optical and mechanical properties. Disordered TCO materials are of great interest because of their ease of fabrication, and because of the variety of composition and atomic structure achieved ranging from quasi-polycrystalline to fully amorphous. However, disordered TCO materials are complex systems and, their electronic properties cannot be fully understood from sole experimental methods or material simulations, slowing down the development of new materials. To address this problem, we combine three strongly complementary fields in material science research, one theoretical (structural and electronic properties modeling) and two experimental ones (thin-film growth and nano-scale microscopy). The goal is to unravel the missing link between measured and simulated microstructural and electronic properties, to understand the factors affecting electron transport in disordered TCOs. This will be done by local nano-scale characterization of microstructure using unique ex and in situ advanced electron microscopy techniques; material structure and electronic properties prediction using high-end modeling algorythms; and material synthesis using superior thin-film TCO fabrication facilities. The gathered knowledge will be exploited to propose novel TCO coating processes allowing the design of new earth-abundant TCO materials with optimized electrical and optical properties. Due to the complex structure of disordered materials, both experimental and numerical studies will be highly challenging, but the complementary nature of the techniques constitutes the originality and strength of this project.
-