Well-Defined Ti Surface Sites in Ziegler-Natta Pre-Catalysts from 47/49Ti Solid-State Nuclear Magnetic Resonance Spectroscopy

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Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

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Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

The role of Zn in C-S-H atomic structure, nucleation and growth

Anna Morales Melgares

The most promising solution towards cementitious materials with a lower carbon footprint is the partial substitution of the clinker by supplementary cementitious materials (SCMs) such as fly ash, blast furnace slag, limestone and calcined clays. The produc ...

EPFL2023

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

Iurii Timrov

Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence of this gap has been attributed to strong in-plane Dzyaloshinskii-Moriya or Kita ...

2023

Probing proton diffusion as a guide to environmental stability in powder-engineered FAPbI3 and CsFAPbI3 perovskites

Mohammad Khaja Nazeeruddin, Jianxing Xia

Formamidinium lead iodide-based solar cells show promising device reliability. The grain imperfection can be further suppressed by developing powder methodology. The water uptake capability is critical for the stability of a-formamidinium lead triiodide (F ...

ELSEVIER2023

Tandem Hydroformylation-Aldol Condensation Reaction Enabled by Zn-MOF-74

Berend Smit, Daniele Ongari

The tandem hydroformylation-aldol condensation (tandem HF-AC) reaction offers an efficient synthetic route to the synthesis of industrially relevant products. The addition of Zn-MOF-74 to the cobalt-catalyzed hydroformylation of 1-hexene enables tandem HF- ...

WILEY-V C H VERLAG GMBH2023

An Overview of Heterogeneous Catalysts Based on Hypercrosslinked Polystyrene for the Synthesis and Transformation of Platform Chemicals Derived from Biomass

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Platform chemicals, also known as chemical building blocks, are substances that serve as starting materials for the synthesis of various value-added products, which find a wide range of applications. These chemicals are the key ingredients for many fine an ...

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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, Léa Buswell, Mahdi Zamani, Simon Robert Escobar Steinvall, Rajrupa Paul, Mirjana Dimitrievska

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

Anisotropic In-Plane strain engineering Ni(OH)2 to activate alkaline hydrogen evolution reaction

Chao Yang, Kangning Zhao

Realizing a hydrogen economy strongly requires alkaline water electrolysis to achieve large-scale generation of H2, but lacks stable and efficient catalysts. The insufficient active sites in Ni(OH)2 impair the catalytic performance of alkaline HER. Herein, ...

ELSEVIER SCIENCE SA2023

A colloidal aqueous electrolyte modulated by oleic acid for durable zinc metal anode

Di Yang, Kangning Zhao, Xu Zhang

Continuous dendrites growth, as well as corrosion and side reactions of Zn metal anode seriously hinder the development of aqueous zinc ion batteries. To address these issues, oleic acid (OA) is dispersed into a 2 M ZnSO4 solution to form a novel colloidal ...

ELSEVIER SCIENCE SA2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Harmina Vejayan, Mateusz Suchodol

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

Optical spectroscopy of earth-abundant zinc pnictides for photovoltaics

Elias Zsolt Stutz

Zinc phosphide (Zn3P2) is an earth-abundant semiconductor with promising properties for applications as an absorber in photovoltaics. To beat the 40 years old record power conversion efficiency of solar cells made with this material, a deep understanding o ...

EPFL2022

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