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Concept

Endofullerène

Publications associées (25)

Direct Observation of the Phase Transition in C60 Fullerene

Chengcheng Yan

In the third study, the order-disorder phase transition of single-crystal C60 is studied using time-resolved electron microscopy. Solid C60 undergoes a first-order phase transition upon heating to 260 K. This is a structural transition from the low-tempera ...

EPFL Infoscience2023

Synthetic Receptors with Micromolar Affinity for Chloride in Water

Kay Severin, Farzaneh Fadaei Tirani, Cesare Berton, Sylvain Alexandre Marie Sudan, Damien Wen Chen

A water-soluble coordination cage was obtained by reaction of Pd(NO3)2 with a 1,3-di(pyridin-3-yl)benzene ligand featuring a short PEG chain. The cavity of the metal-organic cage contains one nitrate anion, which is readily replaced by chloride. The appare ...

Wiley-VCH Verlag GmbH2023

Site-selective Synthesis of -[70]PCBM-like Fullerenes: Efficient Application in Perovskite Solar Cells

Michael Graetzel, Shaik Mohammed Zakeeruddin, Jiyoun Seo, Seckin Akin

We report on the site-selective synthesis of PCBM-like [70]fullerene site-isomers, where the elusive -site-isomers are, for the first time, the major product in a (cyclo)addition chemical reaction involving [70]fullerene. The reaction involves an straightf ...

WILEY-V C H VERLAG GMBH2019

Koopmans Meets Bethe-Salpeter: Excitonic Optical Spectra without GW

Nicola Marzari, Nicola Colonna, Paolo Umari

The Bethe Salpeter equation (BSE) can be applied to compute from first-principles optical spectra that include the effects of screened electron hole interactions. As input, BSE calculations require single-particle states, quasiparticle energy levels, and t ...

AMER CHEMICAL SOC2019

Performance of Carbon Nano-Scale Allotropes in Detecting Midazolam and Paracetamol in Undiluted Human Serum

Giovanni De Micheli, Sandro Carrara, Irene Taurino, Francesca Stradolini, Ioulia Tzouvadaki, Nima Aliakbarinodehi, Sattar Akbari Nakhjavani

Nano-materials are highly exploited to enhance sensing performance of electrochemical electrodes by increasing the Electro-Active Surface Area (EASA). In this work, an analytical calculation of the deposited EASA is presented and experimentally validated b ...

2018

Lattice Energy as Emerging General Parameter Describing Ionic Organic Semiconducting Materials Properties

Donatas Gesevicius

Cyanine dyes represent a class of ionic functional materials used by a broad heterogeneous science community contain-ing biologists, chemists, physicists and materials scientists. Their diverse application opportunities are ranging from fluorescence marker ...

EPFL2018

Stable 2.1 μm near 100% polarized Ho-doped all-fiber laser based on a polarizer-free cavity scheme

Camille Sophie Brès, Jianqi Hu, Davide Grassani, Svyatoslav Kharitonov, Sida Xing

A highly polarized Ho-doped truly all-fibre laser was demonstrated without in-cavity polarizer. Utilizing PM-FBG and loop mirror, maximum 0.5W output power with 30% slope efficiency, 70dB ASE suppression and 99.997% degree of polarization was recorded at 2 ...

2017

Self-Assembled Nanomicelles as MRI Blood-Pool Contrast Agent

Lothar Helm, Anne-Sophie Chauvin

Gadolinium‐loaded nanomicelles show promise as future magnetic resonance imaging (MRI) contrast agents (CAs). Their increased size and high gadolinium (Gd) loading gives them an edge in proton relaxivity over smaller molecular Gd‐complexes. Their size and ...

2017

A Close Look at Charge Generation in Polymer:Fullerene Blends with Microstructure Control

Jacques-Edouard Moser, Natalie Renuka Banerji, Mariateresa Scarongella, Jelissa Risse, Natalie Stingelin

We reveal some of the key mechanisms during charge generation in polymer:fullerene blends exploiting our well-defined understanding of the microstructures obtained in pBTTT:PCBM systems via processing with fatty acid methyl ester additives. Based on ultraf ...

Amer Chemical Soc2015

First-principles investigation of organic photovoltaic materials C-60, C-70, [C-60]PCBM, and bis-[C-60]PCBM using a many-body G(0)W(0)-Lanczos approach

Nicola Marzari, Paolo Umari

We present a first-principles investigation of the excited-state properties of electron acceptors in organic photovoltaics including C-60, C-70, [6,6]-phenyl-C-61-butyric-acid-methyl-ester ([C-60] PCBM), and bis-[C-60] PCBM usingmany-body perturbation theo ...

Amer Physical Soc2015

Charge carrier dynamics at organic interfaces for polymer photovoltaics

Mariateresa Scarongella

The increased energy demand and the importance to find renewable energy resources have been addressed by a scientific effort to improve the power conversion efficiency of organic solar cells. In particular, polymer-based solar cells have experienced a grea ...

EPFL2015

Cluster-size dependent internal dynamics and magnetic anisotropy of Ho ions in HoM2N@C-80 and Ho2MN@C-80 families (M = Sc, Lu, Y)

Yi Zhang, Jan Gui-Hyon Dreiser

The paramagnetic NMR study of HoM2N@C-80-I-h and Ho2MN@C-80-I-h nitride cluster fullerenes (M = Sc, Lu, Y) reveals strong dependence of Ho-induced paramagnetic shifts (delta(para)) in C-13 NMR spectra on the size of the diamagnetic metal in the cluster. In ...

Royal Society of Chemistry2014

Diyne-Functionalized Fullerene Self-Assembly for Thin Film Solid-State Polymerization

Jakob Heier, Gaëtan Wicht, Raffaele Mezzenga

C-60 fullerene derivatives bearing aliphatic chains can self-assemble into versatile supramolecular structures. Cross-linking of such self-assembled morphologies is an attractive approach to enhance the structural stability of these self-organized structur ...

American Chemical Society2014

The influence of microstructure on charge separation dynamics in organic bulk heterojunction materials for solar cell applications

Jacques-Edouard Moser, Natalie Renuka Banerji, Arun Aby Paraecattil, Mariateresa Scarongella, Natalie Stingelin

Light-induced charge formation is essential for the generation of photocurrent in organic solar cells. In order to gain a better understanding of this complex process, we have investigated the femtosecond dynamics of charge separation upon selective excita ...

Royal Society of Chemistry2014

Charge Separation Pathways in a Highly Efficient Polymer:Fullerene Solar Cell Material

Natalie Renuka Banerji, Arun Aby Paraecattil

PBDTTPD is one of the best conjugated polymers for solar cell applications (up to 8.5% efficiency). We have investigated the dynamics of charge generation in the blend with fullerene (PCBM) and addressed highly relevant topics such as the role of bulk hete ...

Amer Chemical Soc2014

Relative Efficiency of Stochastic and Genetic Algorithms for Characterizing Clusters with Unique Bonding Patterns

Fabrice Avaltroni

This thesis investigates the relative efficiencies of two isomeric search procedures to survey potential energy surfaces with the objective of rapidly assessing the relevancy of compounds possessing atypical structural patterns. Variants of both the standa ...

EPFL2012

Theoretical investigation of the C-60/copper phthalocyanine organic photovoltaic heterojunction

Efthimios Kaxiras, Sheng Meng, Jun Ren

Molecular heterojunctions, such as the one based on copper phthalocyanine (CuPc) and carbon fullerene (C-60) molecules, are commonly employed in organic photovoltaic cells as electron donor-acceptor pairs. We have investigated the different atomic structur ...

2012

Spectroscopy and Dynamics of Barium-doped Helium Nanodroplets

Marcel Drabbels, Evgeniy Loginov

Excitation spectra up to the ionization threshold are reported for barium atoms located on the surface of helium nanodroplets. For states with low principal quantum number, the resonances are substantially broadened and shifted towards higher energy with r ...

American Institute of Physics2012

How are small endohedral silicon clusters stabilized?

Anne-Clémence Corminboeuf, Fabrice Avaltroni

Clusters in the (Be, B, C)@Si-n((0,1,2+)) (n = 6-10) series, isoelectronic to Si-n(2-), present multiple symmetric structures, including rings, cages and open structures, which the doping atom stabilizes using contrasting bonding mechanisms. The most strik ...

Royal Society of Chemistry2012

Barium Ions and Helium Nanodroplets: Solvation and Desolvation

Marcel Drabbels, Xiaohang Zhang

The solvation of Ba+ ions created by the photoionization of barium atoms located on the surface of helium nanodroplets has been investigated. The excitation spectra corresponding to the 6p 2P1/2

American Institute of Physics2012