Characterization and photonic properties for the Pt-fullerene/TiO2 composites derived from titanium (IV) n-butoxide and C60

오원춘,Weon-Bae Ko 한국공업화학회 2009 Journal of Industrial and Engineering Chemistry Vol.15 No.6

In this study, the structural variations, surface states, and mass transformations of fullerene [C60] derivatives were investigated through the preparation of Pt-decorated oxidized fullerene and a Ptfullerene/TiO2 composite and comparison to an oxidized fullerene [C60O]. These derivatives were synthesized with an improved oxidation method using m-chloroperbenzoic acid (MCPBA). Weak and strong peaks of metallic platinum and titanium dioxide, along with weak pristine fullerene [C60] peaks, were observed in the XRD patterns for the Pt-fullerene and Pt-fullerene/TiO2 composite. SEM micrographs for the metallic Pt-fullerene and Pt-fullerene/TiO2 composite indicated that practically all the platinum and titanium dioxide that were introduced were located on the carbon cages and consequently, were dispersed into very small crystallites with growth of platinum metals and titanium dioxide. The EDX spectra of Pt-fullerene and Pt-fullerene/TiO2 composite showed the presence of C, O, and Pt, with strong Ti peaks. From the MALDI-TOF mass spectra, the differences in the spectra for the three kinds of fullerene derivatives were due to oxidation including chemical bonding and interposing of metallic platinum and titanium dioxide in the fullerene [C60] molecules. And, absorption property demonstrated by UV–vis diffuse reflectance method. From the photocatalytic results, the excellent activity of the Pt-fullerene/TiO2 composites for organic dye and UV irradiation time could be attributed to the synergetic effects between photocatalysis of the supported TiO2 and absorptivity of the platinum and fullerene.

Spherical and spheroidal fullerenes entering carbon nanotubes

Barry J. Cox,Ngamta Thamwattana,James M. Hill 한국물리학회 2008 Current Applied Physics Vol.8 No.3,4

A continuous model of a fullerene inside a carbon nanotube and for which both the fullerene and carbon nanotube are treated assmooth surfaces with uniform atomic number densities and the van der Waals interaction is formulated using a 612 Lennard-Jonespotential. From the model we derive acceptance conditions and suction energies for C60,C70 and C80 fullerenes. We show that for thesesystems where the fullerenes are not accepted by the nanotube, then the suction energy is particularly sensitive to the equatorial semi-axislengthb. Alternatively, when the nanotube does accept the fullerene then an approximately equal suction energy per atom is obtained forall the fullerene types with little or no sensitivity to change in the equatorial semi-axis length. The analysis is given for the spherical ful-lerene C60 for which good agreement with molecular dynamics studies is obtained and it is repeated for C70 and C80 fullerenes using aself-consistent solution.

New families of cage-like structures based on Goldberg polyhedra with non-isolated pentagons

Rezaee Javan Anooshe,Liu Yuanpeng,Xie Yi Min 한국CDE학회 2023 Journal of computational design and engineering Vol.10 No.2

A Goldberg polyhedron is a convex polyhedron made of hexagons and pentagons that have icosahedral rotational symmetry. Goldberg polyhedra have appeared frequently in art, architecture, and engineering. Some carbon fullerenes, inorganic cages, viruses, and proteins in nature exhibit the fundamental shapes of Goldberg polyhedra. According to Euler’s polyhedron formula, an icosahedral Goldberg polyhedron always has exactly 12 pentagons. In Goldberg polyhedra, all pentagons are surrounded by hexagons only—this is known as the isolated pentagon rule (IPR). This study systematically developed new families of cage-like structures derived from the initial topology of Goldberg polyhedra but with the 12 pentagons fused in five different arrangements and different densities of hexagonal faces. These families might be of great significance in biology and chemistry, where some non-IPR fullerenes have been created recently with chemical reactivity and properties markedly different from IPR fullerenes. Furthermore, this study has conducted an optimization for multiple objectives and constraints, such as equal edge length, equal area, planarity, and spherical shape. The optimized configurations are highly desirable for architectural applications, where a structure with a small number of different edge lengths and planar faces may significantly reduce the fabrication cost and enable the construction of surfaces with flat panels.

Synthesis and Characterization of a Photoluminescent Nanoparticle Based on Fullerene–Silica Hybridization

Jeong, Jinyoung,Cho, Miyoung,Lim, Yong Taik,Song, Nam Woong,Chung, Bong Hyun WILEY-VCH Verlag 2009 Angewandte Chemie Vol.48 No.29

<P>Bright lights: Fullerene–silica hybrid nanoparticles have bright photoluminescence, high photostability, and low cytotoxicity, which are assets for bioimaging agents. The origin of the photoluminescence of the nanoparticle is the C–O–Si bond (see picture). <img src='wiley_img_2010/14337851-2009-48-29-ANIE200901750-content.gif' alt='wiley_img_2010/14337851-2009-48-29-ANIE200901750-content'> </P> <B>Graphic Abstract</B> <P>Bright lights: Fullerene–silica hybrid nanoparticles have bright photoluminescence, high photostability, and low cytotoxicity, which are assets for bioimaging agents. The origin of the photoluminescence of the nanoparticle is the C–O–Si bond (see picture). <img src='wiley_img_2010/14337851-2009-48-29-ANIE200901750-content.gif' alt='wiley_img_2010/14337851-2009-48-29-ANIE200901750-content'> </P>

Structures and Stabilities of Asymmetric Fullerene Dimers: A Density Functional Theory Study

이승미,김경중,김환욱 한국물리학회 2013 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.63 No.11

The molecular structure and the relative stability of asymmetric fullerene dimers were systematicallyinvestigated using density functional theory calculations. The most stable geometries fora directly-linked dimer of C130, and bridged dimers of C130O and C131 were identified among severalisomers by using a total energy comparison. The relative stability of asymmetric dimers wasdefined by calculating the dissociation energy barrier of a fullerene dimer into two unit fullerenes. We found that the directly-linked asymmetric dimer C130 was not energetically stable and that thecarbon-bridged dimer C131 was more stable than the oxygen-bridged dimer C130O. The electronicstructures of the stable asymmetric dimers were also investigated.

Design and Synthesis of Novel Fullerene-Bonded OLED Materials

왕율란,Dhriti Nepal,김명숙,Kurt E. Geckeler 한국고분자학회 2004 한국고분자학회 학술대회 연구논문 초록집 Vol.29 No.2

[60]Fullerene–Metal Cluster Complexes: Understanding Novel η¹ and η^2[6:5] Bonding Modes of Metallofullerenes

Han, Young-Kyu,Kim, Kyoung Hoon,Kim, Jong Chan,Park, Bo Keun,Park, Joon T. WILEY-VCH Verlag 2010 European journal of inorganic chemistry Vol.2010 No.10

<P>We performed extensive density functional calculations on various metallofullerene complexes and their polyanions to gain insight into novel η<SUP>1</SUP> and η<SUP>2[6:5]</SUP> metal (M)–C<SUB>60</SUB> bonding modes. For L<SUB>n</SUB>MC<SUB>60</SUB> (L = ligand), the η<SUP>1</SUP> mode is calculated to be the most stable, followed by η<SUP>2[6:5]</SUP> and η<SUP>2[6:6]</SUP> for –3 anions, in contrast to η<SUP>2[6:6]</SUP> >> η<SUP>2[6:5]</SUP> ≈ η<SUP>1</SUP> for neutral cases. This observation is responsible for the transformation from η<SUP>2[6:6]</SUP> to η<SUP>1</SUP> for L<SUB>n</SUB>M<SUB>3</SUB>C<SUB>60</SUB>, such as [Os<SUB>3</SUB>(CO)<SUB>9</SUB>C<SUB>60</SUB>], upon successive electron reductions. Our energy partitioning analysis (EPA) indicates that the π-type character of η<SUP>2[6:6]</SUP> is much larger than that of η<SUP>2[6:5]</SUP>. An electron addition decreases the π-type interaction of both the η<SUP>2[6:6]</SUP> and η<SUP>2[6:5]</SUP> modes by about 35 %, whereas it has little effect on σ-type interactions. Because of the large proportion of π-character in η<SUP>2[6:6]</SUP> coordination, the stability of η<SUP>2[6:6]</SUP> coordination decreases steeply as electron reductions continue. On the basis of the EPA results, we could explain why the reaction of [Os<SUB>3</SUB>(CO)<SUB>8</SUB>(CNR)(μ<SUB>3</SUB>-η<SUP>2[6:6]</SUP>,η<SUP>2[6:6]</SUP>,η<SUP>2[6:6]</SUP>-C<SUB>60</SUB>)] (R = CH<SUB>2</SUB>Ph) with CNR (4e donor) produces [Os<SUB>3</SUB>(CO)<SUB>8</SUB>(CNR)(μ<SUB>3</SUB>-CNR)(μ<SUB>3</SUB>-η<SUP>1</SUP>,η<SUP>2[6:5]</SUP>,η<SUP>1</SUP>-C<SUB>60</SUB>)]. The η<SUP>1</SUP> and η<SUP>2[6:5]</SUP> bonding modes of M–C<SUB>60</SUB> are crucial to fully understand the bonding nature of M–C<SUB>60</SUB> bonds in exohedral metallofullerene complexes.</P> <B>Graphic Abstract</B> <P>The reaction of [Os<SUB>3</SUB>(CO)<SUB>8</SUB>(CNR)(μ<SUB>3</SUB>-η<SUP>2[6:6]</SUP>,η<SUP>2[6:6]</SUP>,η<SUP>2[6:6]</SUP>-C<SUB>60</SUB>)] (R = CH<SUB>2</SUB>Ph) with CNR (4e donor) produces [Os<SUB>3</SUB>(CO)<SUB>8</SUB>(CNR)(μ<SUB>3</SUB>-CNR)(μ<SUB>3</SUB>-η<SUP>1</SUP>,η<SUP>2[6:5]</SUP>,η<SUP>1</SUP>-C<SUB>60</SUB>)]. DFT calculations clearly show that the η<SUP>1</SUP> and η<SUP>2[6:5]</SUP>modes are preferable to η<SUP>2[6:6]</SUP> for electron-rich environments. Electron additions were found to significantly decrease π-type interactions, whereas they had little effect on σ-type interactions. <img src='wiley_img_2010/14341948-2010-2010-10-EJIC200901188-fig000.gif' alt='wiley_img_2010/14341948-2010-2010-10-EJIC200901188-fig000'> </P>

풀러렌이 분산된 알루미늄기지 나노복합재의 기계적 거동

최현주 ( Hyun Joo Choi ) 한국복합재료학회 2013 Composites research Vol.26 No.2

C60 풀러렌이 분산된 알루미늄기지 복합재를 볼 밀링법과 열간압연 공정을 이용하여 제조하였다. 볼 밀링이 진행되는 동안, 알루미늄기지는 그 결정립이 100 nm 이하 수준으로 미세화되어 강화되었다. 동시에 C60 풀러렌이 알루미늄기지 내에 균일하게 분산되어, C60 풀러렌의 첨가량이 증가할수록 복합재의 강도가 증가하였으며, 10 vol%의 C60 풀러렌을 포함하는 순 알루미늄기지 복합재는 1 GPa 수준의 압축 강도를 나타내었다. Aluminum-based composites containing C60-fullerenes are produced by hot rolling of ball-milled powder. The grain size of aluminum is effectively reduced to ~100 nm during ball-milling processes, leading to grain refinement strengthening of the composite. Furthermore, C60-fullerenes are gradually dispersed during ball-milling processes and hence the strength of the composite increases with the volume of C60-fullerenes. The composite containing 10 vol% C60-fullerenes with a grain size of ∼ 100 nm exhibits ∼1 GPa of compressive strength.

Synthesis of Oligoquinoline Dendronized Fullerenes for Potential Use in Organic Photovoltaic Devices

Kwon, Tae-Woo,Jenekhe, Samson A. Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.8

New C60 fullerenes derivatives [G1]-C60 (1) and [G2]-C60 (2) comprising of phenylenevinylene bridges and phenylquinoline peripheral surface groups were synthesized by 1,3-dipolar cycloaddition reaction of fullerene C60 with azomethine ylide in situ generated from [Gx]-CHO dendrons (x = 1 and 2) and sarcosine.

Synthesis of Oligoquinoline Dendronized Fullerenes for Potential Use in Organic Photovoltaic Devices

권태우,Samson A. Jenekhe 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.8

New C60 fullerenes derivatives [G1]-C60 (1) and [G2]-C60 (2) comprising of phenylenevinylene bridges and phenylquinoline peripheral surface groups were synthesized by 1,3-dipolar cycloaddition reaction of fullerene C60 with azomethine ylide in situ generated from [Gx]-CHO dendrons (x = 1 and 2) and sarcosine.