Measured binding coefficients for iodine and ruthenium dyes; implications for recombination in dye sensitised solar cells

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2023 Roadmap on molecular modelling of electrochemical energy materials

Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid

New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...

Iop Publishing Ltd2023

Investigating the Effect of Crystal Morphology on Optoelectronic Properties of Zinc Phosphide Thin Films via Optical-pump Terahertz Probe Spectroscopy

Elias Zsolt Stutz, Jean-Baptiste Leran, Mahdi Zamani, Rajrupa Paul, Simon Robert Escobar Steinvall, Mirjana Dimitrievska, Léa Buswell

Zinc phosphide ( Zn3P2) is a promising earth-abundant material for solar cell applications but calls for the further understanding of its optoelectronic properties. In this work, we perform contact-free and noninvasive optical-pump terahertz probe (OPTP) s ...

IEEE2023

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Andrei Zviagin

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

EPFL2023

One-pot synthesis of functionalized bis(trifluoromethylated)benziodoxoles from iodine(i) precursors

Jérôme Waser, Xingyu Liu, Nieves Pilar Ramirez Hernandez, Tobias Michael Milzarek

Bis(trifluoromethylated)benziodoxoles (Bx) are broadly used cyclic hypervalent iodine reagents due to their stability and unique chemical properties. However, current methods to access them require several steps and long reaction times, making their synthe ...

Royal Society of Chemistry2023

Chemical Trend of Nonradiative Recombination in Cu(In,Ga)Se2 Alloys

Stefano Falletta

Nonradiative recombination in Cu(In,Ga)Se2 (CIGS) solar cells has long been attributed to the antisite defects MCu (M = In, Ga), but the underlying mechanism is still elusive. Using rigorous first-principles calculations, we demonstrate that the antisites ...

American Physical Society (APS)2023

Molecular engineering of low-cost, efficient, and stable photosensitizers for dye-sensitized solar cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Felix Thomas Eickemeyer, Lukas Pfeifer, Marina Freitag, Jing Gao, Zhongjin Shen

The cost, stability, and photovoltaic performance of photosensi-tizers play a key role in the commercialization of dye-sensitized solar cells (DSCs). Herein, three novel sensitizers termed ZS10, ZS11, and ZS12 are described based on the simple chemical str ...

Cell Press2023

Thermal Conditions in Indoor Environments: Exploring the Reasoning behind Standard-Based Recommendations

Dolaana Khovalyg

Professionals in the building design and operation fields typically look at standards and guidelines as a reliable source of information and guidance with regard to procedural, contractual, and legal scope and requirements that are relevant to accountabili ...

2023

Synthesis and Characterization of Functionalized Spacer Cations for the Incorporation in Layered Perovskites

Simon Nussbaum

Layered hybrid organic-inorganic perovskite (LHOIP) materials are an emerging class of semiconductors endorsed as a more stable alternative compared to the more widely investigated 3D hybrid organic-inorganic halide perovskites (HOIP). Consisting of altern ...

EPFL2023

Charge Extraction and Recombination Dynamics of CdSe/CdTe Solar Cells Studied with Transient Photovoltage/Photocurrent Techniques

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Lei Chen

Significant advancements have been made in the development of high-performance cadmium telluride (CdTe)-based thin film solar cells. However, studies examining the transient excited-state charge dynamics, which determine the final steady-state device perfo ...

IEEE2023

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

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2023 Roadmap on molecular modelling of electrochemical energy materials

Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid

Iop Publishing Ltd2023

Investigating the Effect of Crystal Morphology on Optoelectronic Properties of Zinc Phosphide Thin Films via Optical-pump Terahertz Probe Spectroscopy

Elias Zsolt Stutz, Jean-Baptiste Leran, Mahdi Zamani, Rajrupa Paul, Simon Robert Escobar Steinvall, Mirjana Dimitrievska, Léa Buswell

IEEE2023

Charge Extraction and Recombination Dynamics of CdSe/CdTe Solar Cells Studied with Transient Photovoltage/Photocurrent Techniques

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Lei Chen

IEEE2023