Publications related to Chemical kinetics

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Johann Michler, Xavier Maeder, Laszlo Pethö, Amit Sharma

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

Berlin2023

Tungsten oxide-based photoanodes: biomass valorization and the effects of oxygen vacancies

Nukorn Plainpan

Tungsten oxide-based materials have unique and intriguing properties as photoanode materials for solar energy conversion. The first part of the thesis focuses on the use of WO3 photoanodes for the oxidation of 5-(hydroxymethyl)furfural (HMF). Chapter one l ...

EPFL2023

Predicting Transformation Products during Aqueous Oxidation Processes: Current State and Outlook

Urs von Gunten

Water quality and its impacts on human and ecosystem health presents tremendous global challenges. While oxidative water treatment can solve many of these problems related to hygiene and micropollutants, identifying and predicting transformation products f ...

2023

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Cambridge2023

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

Robustness of Local Predictions in Atomistic Machine Learning Models

Michele Ceriotti, Federico Grasselli, Sanggyu Chong, Chiheb Ben Mahmoud

Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling large-scale ML-driven si ...

Washington2023

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Lijing Xin, Daniel Wenz, Mark Stephan Widmaier, Songi Lim

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

WILEY2023

Drops: Controlled crystallization of organic crystals and their use as matrix materials for encapsulation of volatiles

Aysu Ceren Okur

Encapsulation techniques open up new possibilities to control the kinetics and location of the release of active ingredients. Despite the progresses achieved to obtain a better control over the dimensions and composition of the capsules, the encapsulation ...

EPFL2022

A method for the reliable and reproducible precipitation of phase pure high Ca/Si ratio (>1.5) synthetic calcium silicate hydrates (C-S-H)

Karen Scrivener, Paul Bowen, Maya Nicole Harris, Grace Simpson

Various methods have been developed to synthesize C-S-H; however, these methods have only allowed for the successful production of pure-phase C-S-H with Ca:Si of 1.5 or less. Attempts to form higher Ca:Si ratios by these methods gives C-S-H (Ca:Si 1.5 or l ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Raffaella Buonsanti, James Richard Pankhurst, Laia Castilla Amorós, Tzu-Chin Chang Chien

Micro- and nanosized particles of liquid metals, particularly Ga-based alloys, are attracting increasing attention for applications in several fields. The surface functionalization of Ga-based nanoparticles (NPs) with organic ligands renders easily process ...

AMER CHEMICAL SOC2022

Chemical kinetics

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Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Tungsten oxide-based photoanodes: biomass valorization and the effects of oxygen vacancies

Predicting Transformation Products during Aqueous Oxidation Processes: Current State and Outlook

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

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

Robustness of Local Predictions in Atomistic Machine Learning Models

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Drops: Controlled crystallization of organic crystals and their use as matrix materials for encapsulation of volatiles

A method for the reliable and reproducible precipitation of phase pure high Ca/Si ratio (>1.5) synthetic calcium silicate hydrates (C-S-H)

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

A method for the reliable and reproducible precipitation of phase pure high Ca/Si ratio (>1.5) synthetic calcium silicate hydrates (C-S-H)

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Predicting Transformation Products during Aqueous Oxidation Processes: Current State and Outlook

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

Robustness of Local Predictions in Atomistic Machine Learning Models

Modulating the Reactivity of Liquid Ga Nanoparticle Inks by Modifying Their Surface Chemistry

Tungsten oxide-based photoanodes: biomass valorization and the effects of oxygen vacancies

Drops: Controlled crystallization of organic crystals and their use as matrix materials for encapsulation of volatiles

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting