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Related publications (32)

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Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Michele Ceriotti, Piero Gasparotto

A central paradigm of self-assembly is to create ordered structures starting from molecular monomers that spontaneously recognize and interact with each other via noncovalent interactions. In recent years, great efforts have been directed toward perfecting ...

AMER CHEMICAL SOC2020

Reversible Magnetic Transition in a Bench-Stable Radical Cation Triggered by Structural Transition in the Magnetically Silent Counteranion

Sergio Vela Llausi

Fabrication of bench-stable radical ions under ambient conditions is of utmost significance from the perspective of materials and structural (solid-state) chemistry. Two exceptionally stable benzotriazinyl radical cationic salts of 1-phenyl-3(phenylamino)- ...

2020

Structural and Photophysical Templating of Conjugated Polyelectrolytes with Single-Stranded DNA

Ursula Röthlisberger, Natalie Renuka Banerji, Polydefkis Diamantis

A promising approach to influence and control the photophysical properties of conjugated polymers is directing their molecular conformation by templating. We explore here the templating effect of single-stranded DNA oligomers (ssDNAs) on cationic polythiop ...

AMER CHEMICAL SOC2020

Hydrogen-Bonded Small Molecules and Polymers in Organic Electronics

Bilal Özen

Organic semiconductors are important components for applications in different fields of technology, as their advantages include the possibility of low-temperature processing as well as low-cost, large-area manufacturing based on solution-based processes, c ...

EPFL2020

Trametinib Induces the Stabilization of a Dual GNAQ p.Gly48Leu-and FGFR4 p.Cys172Gly-Mutated Uveal Melanoma. The Role of Molecular Modelling in Personalized Oncology

Krisztian Homicsko

We report a case of an uveal melanoma patient with GNAQ p.Gly48Leu who responded to MEK inhibition. At the time of the molecular analysis, the pathogenicity of the mutation was unknown. A tridimensional structural analysis showed that G alpha(q) can adopt ...

2020

D-pi-A-Type Triazatruxene-Based Dopant-Free Hole Transporting Materials for Efficient and Stable Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Hiroyuki Kanda, Sanghyun Paek, Kasparas Rakstys, Cristina Roldán Carmona, Hobeom Kim, Cansu Igci

Three donor-pi-bridge-acceptor (D-pi-A)-type organic small molecules coded CI-B1, CI-B2, and CI-B3 are designed, synthesized, and used as dopant-free hole transporting materials (HTMs) for perovskite solar cells (PSCs). The strong electron-donating triazat ...

WILEY-V C H VERLAG GMBH2020

Deterministic and Statistical Approaches to Quantum Chemistry

Alberto Fabrizio

The field of quantum chemistry has recently undergone a series of paradigm shifts, including a boom in machine learning applications that target the electronic structure problem. Along with these technological innovations, the community continues to identi ...

EPFL2020

Self-assembled glass-based Fano resonant metasurfaces

Fabien Sorin

Dielectric metasurfaces require the integration of large index contrast materials with accurate control over position and size for high optical efficiency. Their fabrication usually relies on well-established lithographic techniques. While lithography bear ...

SPIE-INT SOC OPTICAL ENGINEERING2020

Photoinduced Charge Transfer Dynamics in Blue-Coloured Diketopyrrolopyrrole (DPP) Dye-Sensitized Solar Cells

Heewon Bahng

The inception of push-pull organic dyes utilizing the donor-pi conjugated bridge-acceptor (D-pi-A) motif has created a paradigm shift in the design of efficient nanocrystalline dye-sensitized solar cells (DSSCs), offering control over aesthetic and perform ...

EPFL2019

To bend or not to bend, the dilemma of multiple bonds

Michele Pizzochero

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

ROYAL SOC CHEMISTRY2019

A Molecular Dual Pump

Cristian Pezzato

Artificial molecular machines (AMMs) built from mechanically interlocked molecules (MIMs) can use energy ratchets to control the unidirectional motion of their component parts. These energy ratchets are operated by the alteration of kinetic barriers and th ...

AMER CHEMICAL SOC2019

Specific Ion Effects at the Interface of Nanometer-Sized Droplets in Water: Structure and Stability

Sylvie Roke, Halil Ibrahim Okur, Evangelia Zdrali

The interaction of ions with interfaces influences numerous processes in chemistry, physics, and biology, while different ion species behave differently at hydrophobic or hydrophilic interfaces. Despite its importance, ion specificity and its relation to s ...

2019