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Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems

Publications associées (28)

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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

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Interfacial engineering through lead binding using crown ethers in perovskite solar cells

Kevin Sivula, Jun Ho Yum, Jovana Milic, Yeonju Kim, Jiyoun Seo

In the domain of perovskite solar cells (PSCs), the imperative to reconcile impressive photovoltaic performance with lead-related issue and environmental stability has driven innovative solutions. This study pioneers an approach that not only rectifies lea ...

Elsevier2024

Hybrid organic/metal-oxide shells on semiconductor nanocrystals via colloidal atomic layer deposition

Ona Segura Lecina

The escalating energy demand and the imperative necessity to reduce the carbon footprint require transformative approaches to energy conversion. Materials chemistry plays a pivotal role in addressing these global challenges by developing novel materials fo ...

EPFL2024

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

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

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

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, Roberto Valenza, Franky Esteban Bedoya Lora

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

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

Improving the photoelectrocatalytic efficiency of CuWO4 through molybdenum for tungsten substitution and coupling with BiVO4

Kevin Sivula, Annalisa Polo

A systematic investigation on the photoelectrocatalytic (PEC) performance of a series of CuW1-xMoxO4 materials with different Mo for W substitution (x = 0-0.8), successfully synthesized as single, transparent photoactive layers, allowed us to identify copp ...

Royal Soc Chemistry2024

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

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

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

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

Page 2 sur 3

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

Royal Soc Chemistry2024

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, Roberto Valenza, Franky Esteban Bedoya Lora

Royal Soc Chemistry2024

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

Fabiana Lisco

Elsevier2024

Improving the photoelectrocatalytic efficiency of CuWO4 through molybdenum for tungsten substitution and coupling with BiVO4

Kevin Sivula, Annalisa Polo

Royal Soc Chemistry2024

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

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

Edp Sciences S A2024

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

Cell Press2024