Publications associées à Metal complexes for use as dopants and other uses

Molecular hypergraph neural networks

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher order connections, such as m ...

Aip Publishing2024

Theoretical explanation of passivation behavior in OFP-Cu and OF-Cu

Na Li, Du Wen

This research presents a comprehensive comparative analysis of the passivation kinetics of OFP-Cu and OF-Cu in simulated repository electrolyte. The study employs a range of techniques, including potentiodynamic polarization, multi-step potentiostatic pola ...

Pergamon-Elsevier Science Ltd2024

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

Assessing the Charge Carrier Dynamics at Hybrid Interfaces of Organic Photoanodes for Solar Fuels

Kevin Sivula, Yongpeng Liu, Han-Hee Cho, Alexander Wieczorek

Organic semiconductors (OSCs) have emerged as promising active layers for photoanodes to drive photoelectrochemical (PEC) oxidation reactions. Interfacing an OSC with an inorganic electron transport layer (ETL) is key to enabling both high performance and ...

Amer Chemical Soc2024

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface

Karl-Heinz Ernst, Christian Wäckerlin

On-surface synthesis has become a prominent method for growing low-dimensional carbon-based nanomaterials on metal surfaces. However, the necessity of decoupling organic nanostructures from metal substrates to exploit their properties requires either trans ...

Wiley-VCH Verlag GmbH2024

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Sylvain Alexandre Marie Sudan

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Rate-Determining Step for Electrochemical Reduction of Carbon Dioxide into Carbon Monoxide at Silver Electrodes

Sophia Haussener, Etienne Boutin

Silver is one of the most studied electrode materials for the electrochemical reduction of carbon dioxide into carbon monoxide, a product with many industrial applications. There is a growing number of reports in which silver is implemented in gas diffusio ...

2024

Charge-Transfer States in Organic Nanowires

Lucile Annie Chassat

Charge separation processes in organic semiconductors play a pivotal role in diverse applications ranging from photovoltaics to photocatalysis. Understanding these mechanisms, particularly the role of hybrid charge-transfer (CT) states, is essential for ad ...

EPFL2024

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

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

Electrochemical devices and computer science: water/thermal management of proton exchange membrane fuel cells and electrolyzers in different scales

Hossein Pourrahmani

The current restrictions on the registration of combustion engines in different countries and the harmful impacts of fossil fuels on the environment and human health have motivated decision-makers to use batteries and/or fuel cells as alternatives for comb ...

EPFL2023

Molecular imine cages with π-basic Au3(pyrazolate) faces

Kay Severin, Rosario Scopelliti, Farzaneh Fadaei Tirani, Noga Eren

One tetrahedral and two trigonal prismatic cages with π-basic Au3(pyrazolate)3 faces were obtained by connection of pre-formed gold complexes via dynamic covalent imine chemistry. The parallel arrangement of the Au3(pyrazolate)3 complexes in the prismatic ...

2024

Dynamic Behavior of Spatially Confined Sn Clusters and Its Application in Highly Efficient Sodium Storage with High Initial Coulombic Efficiency

Xu Xu, Kumar Varoon Agrawal, Lei Zhang, Kangning Zhao

Advanced battery electrodes require a cautious design of microscale particles with built-in nanoscale features to exploit the advantages of both micro- and nano-particles relative to their performance attributes. Herein, the dynamic behavior of nanosized S ...

Wiley-V C H Verlag Gmbh2024

Drift-Diffusion Simulations of Charge Transport and Trap Dynamics in Organic Semiconductor Materials

Camilla Arietta Vael-Garn

Polymeric semiconductors have gained significant attention in the field of organic electronics due to their unique properties and potential applications. Through their ability to transport charge carriers and to absorb or emit light, they have attracted mu ...

EPFL2023

Semiconductor-based device architectures in multimaterial fibers

William Nicolas Duncan Esposito

Semiconductor materials have given rise to today's digital technology and consumer electronics. Widespread adoption is closely linked to the ability to process and integrate them in devices at scale. Where flexibility and large surfaces are required, such ...

EPFL2023

New ultrahigh-speed device concepts: from THz nanoplasma devices to glass-like electronics for neuromorphic computation

Mohammad Samizadeh Nikooytabalvandani

There is a never-ending push for electronic systems to provide faster operation speeds, higher energy efficiencies, and higher power capabilities at smaller scales. These requirements are apparent in different areas of electronics, from radiofrequency (RF) ...

EPFL2023

Surfactant behavior and limited incorporation of indium during in situ doping of GeSn grown by molecular beam epitaxy

Anna Fontcuberta i Morral, Andrea Giunto, Thomas Hagger, Louise Emma Webb

GeSn is a promising group-IV semiconductor material for on-chip Si photonics devices and high-mobility transistors. These devices require the use of doped GeSn regions, achieved preferably in situ during epitaxy. From the electronic valence point of view, ...

AMER PHYSICAL SOC2023

Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling

Sophia Haussener, Shuo Liu, Etienne Boutin, Evan Fair Johnson

Electrochemical conversion of CO2 to fuels and valuable products is one pathway to reduce CO2 emissions. Electrolyzers using gas diffusion electrodes (GDEs) show much higher current densities than aqueous phase electrolyzers, yet models for multi-physical ...

2023

The nanoscale impact of individual nonradiative point defects on InGaN/GaN quantum wells

Thomas Fjord Kjaersgaard Weatherley

Today's world depends on optoelectronic devices: light-emitting diodes illuminate our houses and backlight the displays on our gadgets, while laser diodes underpin fibre-optic communication. Such optoelectronic devices rely on crystalline semiconductor het ...

EPFL2023

Photoelectrochemical Cell Engineering for Solar Energy Conversion

Dan Zhang

Solar energy is the most abundant energy source, harnessing solar energy holds the solution to the challenge of increasing global energy demand and reducing our dependence on fossil fuels. Photovoltaics which directly convert solar energy into electricity ...

EPFL2023

Dynamic Nuclear Polarization of Inorganic Halide Perovskites

Dominik Józef Kubicki, David Lyndon Emsley, Gabriele Stevanato, Aditya Mishra, Michael Allan Hope

The intrinsic low sensitivity of nuclear magnetic resonance (NMR) experiments limits their utility for structure determination of materials. Dynamic nuclear polarization (DNP) under magic angle spinning (MAS) has shown tremendous potential to overcome this ...

2023