Search results for "Fuller"

Conjugation with carbon nanotubes improves the performance of mesoporous silicon as Li-ion battery anode

2020

Carbon nanotubes can be utilized in several ways to enhance the performance of silicon-based anodes. In the present work, thermally carbonized mesoporous silicon (TCPSi) microparticles and single-walled carbon nanotubes (CNTs) are conjugated to create a hybrid material that performs as the Li-ion battery anode better than the physical mixture of TCPSi and CNTs. It is found out that the way the conjugation is done has an essential role in the performance of the anode. The conjugation should be made between negatively charged TCPSi and positively charged CNTs. Based on the electrochemical experiments it is concluded that the positive charges, i.e., excess amine groups of the hybrid material i…

Organocatalytic Alcohol Oxidation Catalyzed by Recyclable TEMPO-functionalized [60]fullerene

2014

C60-TEMPO-IL hybrid: “release and catch” organocatalyst for the oxidation of alcohols

2014

Carbon nanotube azafullerene peapods and their electronic transport properties

2008

3He NMR: from free gas to its encapsulation in fullerene

2013

The 3He nuclear magnetic shieldings were calculated for single helium atom, its dimer, simple models of fullerene cages (He@Cn), and single wall carbon nanotubes. The performances of several levels of theory (HF, MP2, DFT-VSXC, CCSD, CCSD(T), and CCSDT) were tested. Two sets of polarization-consistent basis sets were used (pcS-n and aug-pcS-n), and an estimate of 3He nuclear magnetic shieldings in the complete basis set limit using a two-parameter fit was established. Theoretical 3He results reproduced accurately previously reported theoretical values for helium gas, dimer, and helium probe inside several fullerene cages. Excellent agreement with experimental values was achieved. 3He nuclea…

Noble Gases as Magnetic Probes in Fullerene Chemistry

2016

Since the early 1990s of the previous century, the use of magnetic active noble gas atom to indirectly probe the size and symmetry of fullerene cage has been reviewed. Molecular modeling of nuclear shielding (and chemical shift) using gauge-including atomic orbital (GIAO) approach at several levels of theory, including Hartree–Fock (HF), density functional theory (DFT), and coupled cluster (CC), is discussed. The advantage of using GIAO calculation to predict and closely reproduce experimental 3He and 129Xe NMR spectra is shown.

Theoretical and computational studies of magnetic anisotropy and exchange coupling in molecular systems

2018

The field of molecular magnetism studies the magnetic properties of molecular systems as opposed to conventional metal-based magnets. The high chemical modifiability of the constituting molecules makes such materials highly versatile, and the small size of the building blocks leads to the rise of various quantum mechanical phenomena, such as tunneling and entanglement. These phenomena can then be further utilized in the construction of nanoscale quantum devices. This dissertation describes computational and theoretical studies in the field of molecular magnetism using state-of-the-art quantum chemical methods based on ab initio multireference approaches and broken symmetry density functional t…

[60]Fullerene l -Amino Acids and Peptides: Synthesis under Phase-Transfer Catalysis Using a Phosphine–Borane Linker. Electrochemical Behavior

2017

International audience; A new method to link amino acid and peptide derivatives to [60]fullerene is described. It uses hydrophosphination with a secondary phosphine borane. First, the stereoselective synthesis of secondary phosphine borane amino acid derivatives was achieved by alkylation of phenylphosphine borane with gamma-iodo-alpha-amino ester reagents under phase transfer catalysis (PTC). Second, a sec-phosphine borane amino ester was saponified and coupled with alpha,gamma-diamino esters to afford the corresponding dipeptide derivatives in good yields. Finally, the hydrophosphination reaction of [60]fullerene by the sec-phosphine borane compounds was performed under PTC to obtain C-60…

Piezoresistive semi-transparent flexible sensors by bithiophene fulleropyrrolidine thin films

Piezoresistive sensors are considered among the fundamental components of the future wearable electronic devices, given their potential applications in artificial skin, motion capture and personalized medicine.[1-5] Here, we present a cost-effective, viable fabrication approach to realize piezoresistive sensors using a novel polymeric biotiophene fulleropyrrolidine system (bis-C60Bi) synthesized on flexible ITO/PET supports by electrochemical chronoamperometry. By applying an anodic potential (1.5 V) to a solution containing the monomer, it is possible to obtain a homogeneous semi-transparent thin film on the ITO/PET surface (see Figure). AFM, XPS, UV-vis have been employed to characterize …

Lon Fuller’s Philosophical Affiliation: Prescriptive Legal Positivism (Neither Natural Law Theory nor Principialism)

2022

En este trabajo expondré el que considero el sentido apropiado de las tesis de Fuller sobre la moral interna del derecho. Tras argumentar que la tesis de la moral interna no dice mucho sobre la conexión entre el derecho y la moral en el sentido en que normalmente se discute sobre esta cuestión en los debates entre los partidarios del positivismo jurídico y sus críticos, explicaré en qué sentido el derecho es, para Fuller, un fenómeno moral. Esto me permitirá pronunciarme sobre la cuestionada filiación iusfilosófica del autor: sostendré que la filosofía del derecho de Fuller está en las antípodas de una concepción iusnaturalista o de una concepción principialista no-positivista del derecho y…