Publications by Mathias Dankl | EPFL Graph Search

Force-Matching-Based Approach for the Generation of Polarizable and Nonpolarizable Force Fields Applied to CsPbI3

Ursula Röthlisberger, Martin Peter Bircher, Ariadni Boziki, Mathias Dankl

Lead halide perovskites have emerged as highly efficient solar cell materials. However, to date, the most promising members of this class are polymorphs in which a wide-band-gap delta phase competes with the photoactive perovskite alpha form and the intrin ...

AMER CHEMICAL SOC2025

From Chalcogen Bonding to S-π Interactions in Hybrid Perovskite Photovoltaics

Ursula Röthlisberger, Dominik Józef Kubicki, Mathias Dankl, Nikolaos Lempesis, Laura Piveteau, Virginia Carnevali, Lorenzo Agosta

The stability of hybrid organic-inorganic halide perovskite semiconductors remains a significant obstacle to their application in photovoltaics. To this end, the use of low-dimensional (LD) perovskites, which incorporate hydrophobic organic moieties, provi ...

WILEY2024

Buried Interface Engineering Enables Efficient and 1,960‐hour Isos‐L‐2i Stable Inverted Perovskite Solar Cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Xiong Li, Mathias Dankl, Felix Thomas Eickemeyer, Nikolaos Lempesis, Mingyang Wei, Virginia Carnevali, Lorenzo Agosta, Lin Li

High-performance perovskite solar cells (PSCs) typically require interfacial passivation, yet this is challenging for the buried interface, owing to the dissolution of passivation agents during the deposition of perovskites. Here, this limitation is overco ...

Wiley2024

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites

Mathias Dankl

Perovskite-based solar cells are currently the most rapidly advancing photovoltaic technology but concerns about their long-term stability are still impeding full-scale commercialization. This thesis provides computational insights into some of the stabili ...

EPFL2024

Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Thomas Paul Baumeler, David Lyndon Emsley, Essa Awadh R Alharbi, Mathias Dankl, Aditya Mishra, Felix Thomas Eickemeyer, Michael Allan Hope, Anurag Krishna, Olivier Ouellette, Lukas Pfeifer, Nikolaos Lempesis, Georgios Kakavelakis

2023

Buried Interface Engineering Enables Efficient and 1,960-hour Isos-L-2i Stable Inverted Perovskite Solar Cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Xiong Li, Mathias Dankl, Felix Thomas Eickemeyer, Nikolaos Lempesis, Mingyang Wei, Virginia Carnevali, Lorenzo Agosta, Lin Li

High-performance perovskite solar cells (PSCs) typically require interfacial passivation, yet this is challenging for the buried interface, owing to the dissolution of passivation agents during the deposition of perovskites. Here, we overcome this limitati ...

Zenodo2023

Mitigating the Heterointerface Driven Instability in Perovskite Photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Essa Awadh R Alharbi, Mathias Dankl, Felix Thomas Eickemeyer, Hong Zhang, Anurag Krishna

Metal halide perovskites have thepotential to revolutionizethefield of photovoltaics, though limited stability has impeded commercialexploitation. The soft heterointerface between the perovskite andcharge-transporting layer is one of the major bottlenecks ...

AMER CHEMICAL SOC2023

Reversible Pressure-Dependent Mechanochromism of Dion-Jacobson and Ruddlesden-Popper Layered Hybrid Perovskites

Michael Graetzel, Ursula Röthlisberger, Jovana Milic, Mathias Dankl, Algirdas Ducinskas

Layered Dion-Jacobson (DJ) and Ruddlesden-Popper (RP) hybrid perovskites are promising materials for optoelectronic applications due to their modular structure. To fully exploit their functionality, mechanical stimuli can be used to control their propertie ...

Wiley-V C H Verlag Gmbh2022

Interplay of Kinetic and Thermodynamic Reaction Control Explains Incorporation of Dimethylammonium Iodide into CsPbI3

Ursula Röthlisberger, Marko Mladenovic, Dominik Józef Kubicki, David Lyndon Emsley, Ariadni Boziki, Mathias Dankl, Aditya Mishra

CsPbI3 is a promising material for optoelectronics owing to its thermal robustness and favorable bandgap. However, its fabrication is challenging because its photoactive phase is thermodynamically unstable at room temperature. Adding dimethylammonium (DMA) ...

AMER CHEMICAL SOC2022

Methylammonium Triiodide for Defect Engineering of High-Efficiency Perovskite Solar Cells

Michael Graetzel, Jacques-Edouard Moser, Shaik Mohammed Zakeeruddin, Mounir Driss Mensi, Ursula Röthlisberger, Ulf Anders Hagfeldt, Thomas Paul Baumeler, Linfeng Pan, Paramvir Ahlawat, Claudia Esther Avalos, Essa Awadh R Alharbi, Pascal Alexander Schouwink, George Cameron Fish, Mathias Dankl, Bowen Yang, Felix Thomas Eickemeyer, Viktor Skorjanc, Anurag Krishna, Olivier Ouellette, Elsa John, Lukas Pfeifer

The defects present in metal halide perovskite are deleterious to both the performance and stability of photovoltaic devices. Consequently, there is an intense focus on developing defect mitigation strategies. Herein we report a facile strategy that employ ...

2021

Nanoscale interfacial engineering enables highly stable and efficient perovskite photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, Mounir Driss Mensi, Ursula Röthlisberger, Ulf Anders Hagfeldt, Sandy Sanchez Alonso, Mathias Dankl, Hong Zhang, Anurag Krishna, Olivier Ouellette

We present a facile molecular-level interface engineering strategy to augment the long-term operational and thermal stability of perovskite solar cells (PSCs) by tailoring the interface between the perovskite and hole transporting layer (HTL) with a multif ...

2021

Organic Spacers in 2D Perovskites: General Trends and Structure-Property Relationships from Computational Studies

Ursula Röthlisberger, Marko Mladenovic, Ariadni Boziki, Farzaneh Jahanbakhshi, Paramvir Ahlawat, Mathias Dankl

Addition of large organic molecules to halide perovskites has been shown to provoke dimensionality reduction and formation of two-dimensional phases that demonstrate improved long-term stabilities. Optoelectronic properties of the resulting 2D layered pero ...

WILEY-V C H VERLAG GMBH2021