Publications related to Molecular Electronic Study of Spiro-[cyclopenta[1,2-b:5,4-b ']dithiophene-4,9 '-fluorene] Derivatives: Route to Decent Hole-Transporting Materials

Related publications (33)

Measurement of the photon polarisation in B+ -> K+ pi- pi+ gamma decays at LHCb

All physical processes can be described, at a fundamental level, through interactions of elementary particles. The Standard Model of particle physics (SM) describes three of the four known fundamental forces and all of the known elementary particles. The a ...

EPFL2025

Metal Doping of Strongly Confined Halide Perovskite Nanocrystals under Ambient Conditions

Emad Oveisi, Aurélien Bornet, Pascal Alexander Schouwink, Sascha Feldmann, Tejas Deshpande, Zachary Andrew Vanorman

Halide perovskite nanocrystals are promising materials for optoelectronic applications. Metal doping provides an avenue to boost their performance further, e.g., by enhancing light emission, or to provide additional functionalities, such as nanoscale magne ...

American Chemical Society (ACS)2025

Lagnet: Better Electron Density Prediction for Lcao-based Data and Drug-like Substances

Egor Rumiantsev

The electron density is an important object in quantum chemistry that is crucial for many downstream tasks in drug design. Recent deep learning approaches predict the electron density around a molecule from atom types and atom positions. Most of these meth ...

BMC2025

Localized Tunneling 1D Perovskitoid Passivated Contacts for Efficient and Stable Perovskite Solar Modules

Mohammad Khaja Nazeeruddin, Yong Ding, Kai Zhang

Interface engineering has proven to be an effective approach for passivating interfacial imperfections to mitigate non-radiative recombination, but the subpar interface quality between the perovskite and the charge transport layer has hindered advancements ...

2025

C-ald-grown Metal Oxide Shell Enables Distance-independent Triplet Energy Transfer From Quantum Dots to Molecular Dyes

Marco Fabbiano, Raffaella Buonsanti, Sascha Feldmann, Ona Segura Lecina, Tejas Deshpande

Hybrid nanocomposites including quantum dots (QDs) and molecular dyes offer tunability of charge and energy transfer processes, which are attractive for applications spanning from light-emitting devices to photocatalysis and photon upconversion. Core@shell ...

AMER CHEMICAL SOC2025

Optical Spatial Dispersion Via Wannier Interpolation

Stepan Tsirkin

We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more efficient than di ...

AMER PHYSICAL SOC2025

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

Stress tolerance of lightweight glass-free PV modules for vehicle integration

Kléber Nicolet-dit-Félix, Christophe Ballif, Matthieu Despeisse, Aïcha Hessler-Wyser, Jacques Levrat, Antonin Faes, Gianluca Cattaneo, Umang Bhupatrai Desai, Fahradin Mujovi

Electric vehicles (EVs) currently dominate the sales in the automotive market. A big leap in this market can be made by developing a photovoltaic product that can be integrated to an EV, as it can boost the driving range of the EV while reducing the chargi ...

Edp Sciences S A2024

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

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

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

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

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

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

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

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

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

Mixed ionic-electronic conduction in Ruddlesden-Popper and Dion-Jacobson layered hybrid perovskites with aromatic organic spacers

Michael Graetzel, Jovana Milic, Joachim Maier, Algirdas Ducinskas

The understanding of mixed ionic-electronic conductivity in hybrid perovskites has enabled major advances in the development of optoelectronic devices based on this class of materials. While recent investigations revealed the potential of using dimensional ...

Royal Society of Chemistry2024

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

Machine Learning for Screening Small Molecules as Passivation Materials for Enhanced Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Bin Ding, Xianfu Zhang

Utilization of small molecules as passivation materials for perovskite solar cells (PSCs) has gained significant attention recently, with hundreds of small molecules demonstrating passivation effects. In this study, a high-accuracy machine learning model i ...

Wiley-VCH Verlag Gmbh2024