Publications associées à First-Principles Modeling of Optically Active Organic Molecules in Solar Cell Devices and Biological Environments

Publications associées (29)

Durable Perovskite Solar Cells with 24.5% Average Efficiency: The Role of Rigid Conjugated Core in Molecular Semiconductors

Michael Graetzel, Shaik Mohammed Zakeeruddin, Peng Wang, Felix Thomas Eickemeyer

Efficient and robust n-i-p perovskite solar cells necessitate superior organic hole-transport materials with both mechanical and electronic prowess. Deciphering the structure-property relationship of these materials is crucial for practical perovskite sola ...

Wiley-V C H Verlag Gmbh2024

Photo-doping of spiro-OMeTAD for highly stable and efficient perovskite solar cells

Michael Graetzel, Jacques-Edouard Moser, Etienne Christophe Socie, George Cameron Fish, Aaron Tomas Terpstra, Kai Zhu

A widely used component of high-efficiency perovskite solar cells (PSCs) is the molecular hole-transport material (HTM) spiro-OMeTAD. This organic solid needs to be p-doped to acquire sufficient hole conductivity. However, the conventional doping method us ...

2024

Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Klaus Kern, Abhishek Grewal

Using scanning tunneling microscopy (STM), we experimentally and theoretically investigate isolated platinum phthalocyanine (PtPc) molecules adsorbed on an atomically thin NaCl(100) film vapor deposited on Au(111). We obtain good agreement between theory a ...

Amer Chemical Soc2024

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Sakthi Priya Amirtharaj

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

EPFL2024

Structural divergence of molecular hole selective materials for viable p-i-n perovskite photovoltaics: a comprehensive review

Mohammad Khaja Nazeeruddin, Peng Gao

Perovskite solar cells (PSCs) have garnered significant attention within the photovoltaic research community due to their remarkable progress in just one decade. Among the device configurations, the p-i-n structured PSC offers several advantages, including ...

Royal Society of Chemistry2024

A comprehensive physical model for the sensitivity of silicon heterojunction photovoltaic modules to water ingress

Christophe Ballif, Alessandro Francesco Aldo Virtuani, Luca Gnocchi, Olatz Arriaga Arruti

Silicon heterojunction (SHJ)-solar modules-when encapsulated with ethylene vinyl acetate (EVA)-are known to be extremely sensitive to water ingress. The reason for this is, however, not clear. Here, we explain the root causes of this degradation mechanism ...

Cell Press2024

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

Plasmonic Nanostructures for Photocatalysis: Material, Photonic and Electronic Effects

Fateme Kiani Shahvandi

Plasmonic photochemistry has a large potential to replace energy-intensive chemical processes with low-temperature, low-pressure light-driven chemical reactions. Plasmonic nanostructures have emerged as promising photocatalysts with exceptional and tunable ...

EPFL2024

Supramolecular interactions using β-cyclodextrin in controlling perovskite solar cell performance

Parnian Ferdowsi, Kevin Sivula, Jun Ho Yum, Jiyoun Seo

In the context of perovskite solar cells (PSCs), enhancing device performance often involves adding a small excess of lead iodide (PbI2) to the precursor solution. However, the presence of unreacted PbI2 can lead to accelerated degradation compromising lon ...

Royal Society of Chemistry2024

Enhanced performance of perovskite solar cell via up-conversion YLiF4:Yb, Er nanoparticles

Mounir Driss Mensi, Masaud Hassan S Almalki, Anwar Qasem M Alanazi

We report a simple and effective method for producing lanthanide ion-doped lithium-fluoride-based nanocrystals (YLiF4). We utilized those nanoparticles for up-conversion in fabricated perovskite solar cells. The obtained results shows that the up-conversio ...

Elsevier2024

Encapsulation strategies for mechanical impact and damp heat reliability improvement of lightweight photovoltaic modules towards vehicle-integrated applications

Fabiana Lisco

Lightweight modules are essential for next-generation vehicle-integrated photovoltaic (VIPV) applications, such as solar-powered cars, allowing integration of solar cells beyond the roof, and on the hood, boot and body panels, and thereby extending the dri ...

Elsevier2024

Elimination of buried interfacial voids for efficient perovskite solar cells

Bin Ding, Xianfu Zhang

Establishing optimal interfacial contact is crucial for enhancing the efficiency of perovskite solar cells (PSCs). However, formation of voids at buried interface of perovskite films often hinders this critical objective. Our investigation reveals that the ...

Elsevier2024

Identification and Mitigation of Degradation Mechanisms Induced by Heat and Light in NiOx-based Perovskite Solar Cells

Marion Solange Madeleine Dussouillez

Perovskite solar cells (PSCs) offer an attractive solution to increase the efficiency of PV panels via perovskite/silicon tandems thanks to their potential cost-effectiveness and high efficiency. In inverted PSC architecture (p-i-n), commonly used hole con ...

EPFL2024

A thermotropic liquid crystal enables efficient and stable perovskite solar modules

Mohammad Khaja Nazeeruddin, Bin Ding, Yong Ding

Perovskite solar cells have seen impressive progress in performance and stability, yet maintaining efficiency while scaling area remains a challenge. Here we find that additives commonly used to passivate large-area perovskite films often co-precipitate du ...

Nature Portfolio2024

Axial-Equatorial Halide Ordering in Layered Hybrid Perovskites from Isotropic-Anisotropic 207Pb NMR

David Lyndon Emsley, Aditya Mishra, Michael Allan Hope, Manuel Cordova, Ümmügülsüm Günes

Bandgap-tuneable mixed-halide 3D perovskites are of interest for multi-junction solar cells, but suffer from photoinduced spatial halide segregation. Mixed-halide 2D perovskites are more resistant to halide segregation and are promising coatings for 3D per ...

Wiley-VCH Verlag GmbH2024

Tracking deep-level defects in degrading perovskite solar cells with a multifactorial approach

Vivek Subramanian

In this work, we provide a mechanistic understanding of the degradation of perovskite solar cells in operation by focusing on methylammonium lead triiodide (CH3NH3PbI3 or MAPbI3) and tracking the evolution of electronic defects via photo-induced current tr ...

Elsevier2024

Alleviating nanostructural phase impurities enhances the optoelectronic properties, device performance and stability of cesium-formamidinium metal-halide perovskites

Anaël Morgane Jaffrès, Christophe Ballif, Quentin Thomas Jeangros, Aïcha Hessler-Wyser, Christian Michael Wolff, Mostafa Rabie Shlaly Bahr Othman, Daniel Anthony Jacobs, Austin George Kuba

The technique of alloying FA+ with Cs+ is often used to promote structural stabilization of the desirable alpha-FAPbI3 phase in halide perovskite devices. However, the precise mechanisms by which these alloying approaches improve the optoelectronic quality ...

Royal Soc Chemistry2024

Font Side Solutions for c-Si Solar Cells with High-Temperature Passivating Contacts

Ezgi Genç

In this work, we studied the potential of using thin films deposited by plasma-enhanced chemical vapor deposition (PECVD) for two main purposes: introducing an n-type passivating contact at the front of a TOPCon solar cell, or simplifying the fabrication o ...

EPFL2024

Microstructural and electrical characterization of high temperature passivating contacts for silicon solar cells

Sofia Libraro

Recombination at metal/semiconductor interfaces represents the main limitation in mainstream c-Si solar cells, primarily based on the passivated emitter and rear cell (PERC) concept. Full-area passivating contacts based on SiOx/poly-Si stacks are a candida ...

EPFL2024

Improving the operational stability of perovskite solar cells with cesium-doped graphene oxide interlayer

Michael Graetzel, Shaik Mohammed Zakeeruddin, Felix Thomas Eickemeyer, Lukas Pfeifer, Hong Zhang, Christian Michael Wolff, Mostafa Rabie Shlaly Bahr Othman, Masaud Hassan S Almalki, Rita Therisod

Perovskite solar cells (PSCs) have made great advances in terms of power conversion efficiency (PCE), yet their subpar stability continues to hinder their commercialization. The interface between the perovskite layer and the charge-carrier transporting lay ...

Elsevier2024