Publications associées à The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces

Publications associées (37)

Dipolar Carbazole Ammonium for Broadened Electric Field Distribution in High-Performance Perovskite Solar Cells

Felix Thomas Eickemeyer, Likai Zheng, Jaeki Jeong

Perovskite solar cells (PSCs) with ammonium passivation exhibit superior device performance and stability. Beyond typical chemical passivation, ammonium salts control the electronic structure of perovskite surfaces, yet the molecular structure-property rel ...

2025

Identification of Isomeric Metabolites Using Cold Ion Spectroscopy Add-on to Orbitrap-Based Mass Spectrometer

Oleg Boyarkine, Vladimir Kopysov, Andrei Zviagin

The identification of chemical structures of metabolites available in trace-level quantities remains a challenging task in analytical chemistry. Although cold ion spectroscopy (CIS) has considerable potential to assist in such identification, the widesprea ...

American Chemical Society (ACS)2025

Effect of imidazole-based additives on the voltage of dye sensitized solar cells with Cu(II/I) redox mediators

Michael Graetzel, Ladislav Kavan

Acetonitrile solutions of Cu(tmby)22+ exhibit aging-dependent changes of UV–Vis spectra, which were attributed to partial reduction to Cu(tmby)2+. This effect is boosted by the addition of imidazole bases, i.e., N-methyl-benzimidazole (NMB) or 5‑chloro-1-e ...

2025

Carbon-nanomaterial-enabled terahertz technology

Benhui Dai

Terahertz (THz) technology bridges the gap between electronics and photonics, unlocking transformative opportunities in medical diagnostics, molecular identification and next-generation wireless networks. Usually, THz devices have been made from convention ...

2025

Polydopamine-coated photoautotrophic bacteria for improving extracellular electron transfer in living photovoltaics

Ardemis Anoush Boghossian, Melania Reggente, Hanxuan Wang, Charlotte Elisabeth Marie Roullier, Mohammed Mouhib

Living photovoltaics are microbial electrochemical devices that use whole cell–electrode interactions to convert solar energy to electricity. The bottleneck in these technologies is the limited electron transfer between the microbe and the electrode surfac ...

2024

Dataset to accompany publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films"

Giulia Tagliabue, Alan Richard Bowman, Fateme Kiani Shahvandi, Theodoros Tsoulos

This dataset accompanies the publication "Quantum-mechanical effects in photoluminescence from thin crystalline gold films" published in Light: Science & Applications (https://doi.org/10.1038/s41377-024-01408-2). The data can be used to reproduce plots 1-4 ...

Zenodo2024

High-throughput parallel testing of ten photoelectrochemical cells for water splitting: case study on the effects of temperature in hematite photoanodes

Sophia Haussener, Isaac Thomas Holmes-Gentle, Franky Esteban Bedoya Lora, Roberto Valenza

High-throughput testing of photoelectrochemical cells and materials under well-defined operating conditions can accelerate the discovery of new semiconducting materials, the characterization of the phenomena occurring at the semiconductor-electrolyte inter ...

Royal Soc Chemistry2024

Membrane electrode assembly simulation of anion exchange membrane water electrolysis

Zoé Mury, Jan Van Herle, Suhas Nuggehalli Sampathkumar, Khaled Lawand

Anion exchange membrane water electrolysis (AEMWE) offers a green hydrogen production method that eliminates the need for platinum group metals (PGM) as electrocatalysts. This study employs a COMSOL (R) 6.0 model to simulate a 1x1 cm(2) Ni fibre - Raney (R ...

Elsevier2024

Experimental and first-principles insights into an enhanced performance of Ru-doped copper phosphate electrocatalyst during oxygen evolution reaction

Mohammad Khaja Nazeeruddin

The OER involves a four-electron transfer and is a kinetically sluggish reaction that requires additional potential to drive. To enhance the electrochemical performance of the above-mentioned applications, highly efficient, corrosion-resistant, earth-abund ...

2024

Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Michele Morgante

In recent years, many efforts have been made to find alternative renewable energy sources that can ideally replace the use of fossil fuels in all aspects. One of the new emerging energy technologies is the bioelectrochemical system, of which two types are ...

EPFL2024

Machine learning models for prediction of electrochemical properties in supercapacitor electrodes using MXene and graphene nanoplatelets

Mohammad Khaja Nazeeruddin

Herein, machine learning (ML) models using multiple linear regression (MLR), support vector regression (SVR), random forest (RF) and artificial neural network (ANN) are developed and compared to predict the output features viz. specific capacitance (Csp), ...

Elsevier Science Sa2024

Orbital-Resolved DFT plus U for Molecules and Solids

Nicola Marzari, Iurii Timrov

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...

Amer Chemical Soc2024

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Ksenia Briling

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Shortwave Infrared-Sensitive, Narrowband Organic Upconversion Devices with a Gain

Wei-Hsu Hu

Sensing and imaging of light in the shortwave infrared (SWIR) range is increasingly used in various fields, including bio-imaging, remote sensing, and semiconductor process control. SWIR-sensitive organic photodetectors (OPDs) are promising because organic ...

EPFL2024

Investigation of room-temperature single-photon emitters in GaN-based materials and GaN/AlN quantum dots

Johann Nicolaï Stachurski

Over the past decade, quantum photonics platforms aiming at harnessing the fundamental properties of single particles, such as quantum superposition and quantum entanglement, have flourished. In this context, single-photon emitters capable of operating at ...

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

Live-cell imaging powered by computation

Suliana Manley

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...

Nature Portfolio2024

Orchestrating chromosome conformation capture analysis with Bioconductor

Cyril Matthey-Doret

Genome-wide chromatin conformation capture assays provide formidable insights into the spatial organization of genomes. However, due to the complexity of the data structure, their integration in multi-omics workflows remains challenging. We present data st ...

Nature Research2024

Multielectron Redox Chemistry of Uranium by Accessing the plus II Oxidation State and Enabling Reduction to a U(I) Synthon

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Anne-Sophie Chauvin, Megan Renee Keener, Maxime Christian Gérard Tricoire

Thesynthesis of molecular uranium complexes in oxidation stateslower than +3 remains a challenge despite the interest for their multielectrontransfer reactivity and electronic structures. Herein, we report theone- and two-electron reduction of a U(III) com ...

2023

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