Concept
Sphère de coordination
Publications associées (184)
The Zenodo communities: visibility and FAIRness of your dataset. Example at the EPFL
Communities are shared areas on the Zenodo platform where projects, institutions, domains, and conferences can curate and manage their research outputs. An EPFL community https://zenodo.org/communities/epfl was created in 2013, mainly as a light-weight sol ...
2024Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features
Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...
Cambridge2024Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors
The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...
EPFL2024Synthesis and Reactivity of an Anionic Diazoolefin
Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Bastiaan Kooij, Zhaowen Dong
Bent (hetero)allenes such as carbodicarbenes and carbodiphosphoranes can act as neutral C-donor ligands, and diverse applications in coordination chemistry have been reported. N-Heterocyclic diazoolefins are heterocumulenes, which can function in a similar ...
2023Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics
We present condensed-phase first-principles molecular dynamics simulations to elucidate the presence of different electron trapping sites in liquid methanol and their roles in the formation, electronic transitions, and relaxation of solvated electrons (e(m ...
ROYAL SOC CHEMISTRY2022Competing Effects of Hydration and Cation Complexation in Single-Chain Alginate
Alginic acid, a naturally occurring anionic polyelectrolyte, forms strong physically cross-linked hydrogels in the presence of metal cations. The latter engage in electrostatic interactions that compete with intra- and intermolecular hydrogen bonds, determ ...
2022Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters
In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...
EPFL2022Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst
Moreno Lelli, Pierrick Berruyer, David Benjamin Roger Antoine Gajan, Zhuoran Wang
The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...
AMER CHEMICAL SOC2022Urea Derivative-Promoted CsPbl(2)Br Perovskite Solar Cells with High Open-Circuit Voltage
Yang Liu, Bowen Yang, Chen Li, Xin Guo
Inorganic perovskite solar cells (PSCs) have witnessed extraordinary advances owing to their prominent stability against thermal aging. However, they suffer from a phase transition from black phase to yellow phase under ambient conditions and serious energ ...
WILEY-V C H VERLAG GMBH2022Overcome Low Intrinsic Conductivity of NiOx Through Triazinyl Modification for Highly Efficient and Stable Inverted Perovskite Solar Cells
Ulf Anders Hagfeldt, Bowen Yang, Hui Chen, Jiabao Yang, Tong Wang
Nickel oxide (NiOx) is a promising hole transport material in inverted organic-inorganic metal halide perovskite solar cells. However, its low intrinsic conductivity hinders its further improvement in device performance. Here, we employ a trimercapto-s-tri ...
WILEY-V C H VERLAG GMBH2022