Lead-free hybrid perovskites for photovoltaics

• Oleksandr Stroyuk

Beilstein J. Nanotechnol. 2018, 9, 2209–2235, doi:10.3762/bjnano.9.207

• mixed Sn–Pb perovskites can be further enhanced by the passivation with a C60 layer [98]. The fullerene was found to eliminate the surface trap states of MAPb0.75Sn0.25I3 crystals suppressing the electron–hole recombination as well as shielding the HP layer from the ambient moisture and oxygen. Solar

Review on nanoparticles and nanostructured materials: history, sources, toxicity and regulations

• Jaison Jeevanandam,
• Ahmed Barhoum,
• Yen S. Chan,
• Alain Dufresne and
• Michael K. Danquah

Beilstein J. Nanotechnol. 2018, 9, 1050–1074, doi:10.3762/bjnano.9.98

• morphologies such as hollow tubes, ellipsoids or spheres. Fullerenes (C60), carbon nanotubes (CNTs), carbon nanofibers, carbon black, graphene (Gr), and carbon onions are included under the carbon-based NMs category. Laser ablation, arc discharge, and chemical vapor deposition (CVD) are the important

Optimisation of purification techniques for the preparation of large-volume aqueous solar nanoparticle inks for organic photovoltaics

• Furqan Almyahi,
• Thomas R. Andersen,
• Nathan A. Cooling,
• Natalie P. Holmes,
• Matthew J. Griffith,
• Krishna Feron,
• Xiaojing Zhou,
• Warwick J. Belcher and
• Paul C. Dastoor

Beilstein J. Nanotechnol. 2018, 9, 649–659, doi:10.3762/bjnano.9.60

• , Callaghan, NSW 2308, Australia CSIRO Energy Technology, Newcastle, NSW 2300, Australia 10.3762/bjnano.9.60 Abstract In this study we have optimised the preparation conditions for large-volume nanoparticle inks, based on poly(3-hexylthiophene) (P3HT):indene-C60 multiadducts (ICxA), through two purification

• Class AAA solar simulator with an AM 1.5 spectrum filter. The light intensity was calibrated to 100 mW cm−2 using a silicon reference solar cell (FHG-ISE). (A) The Z-average size of poly(3-hexylthiophene) (P3HT):indene-C60 multiadducts (ICxA) NPs dialysed by crossflow and centrifugal ultrafiltration

Towards molecular spintronics

• Georgeta Salvan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2017, 8, 2464–2466, doi:10.3762/bjnano.8.245

• guests with topics beyond the molecular systems investigated in our Research Unit, for example: theoretical predictions on metal/C60 interfaces [16], magneto-resistive donor/acceptor transistors [17], spin-crossover complexes [18], ferromagnetic thin films obtained from organic blends [19], and

Effect of the fluorination technique on the surface-fluorination patterning of double-walled carbon nanotubes

• Lyubov G. Bulusheva,
• Yuliya V. Fedoseeva,
• Emmanuel Flahaut,
• Jérémy Rio,
• Christopher P. Ewels,
• Victor O. Koroteev,
• Gregory Van Lier,
• Denis V. Vyalikh and
• Alexander V. Okotrub

Beilstein J. Nanotechnol. 2017, 8, 1688–1698, doi:10.3762/bjnano.8.169

• ) approximation requires significantly less computer resources and well fits NEXAFS C K-spectra of fullerene C60, CNTs and their fluorinated derivatives [32][55][56]. Intensities of spectral lines were obtained by summing the squared coefficients at Ne 2p orbitals and broadened with Lorentzian functions of a

Parylene C as a versatile dielectric material for organic field-effect transistors

• Tomasz Marszalek,
• Maciej Gazicki-Lipman and
• Jacek Ulanski

Beilstein J. Nanotechnol. 2017, 8, 1532–1545, doi:10.3762/bjnano.8.155

• is not only connected to the dielectric/semiconductor interface. The effect of grain size and interface dependence of bias stress stability has been studied for C60-fullerene-based, n-type OFETs. It was revealed that, with an increasing grain size of C60, the bias stress induced shift of the

• threshold voltage can be controlled. This effect is mainly attributed to the mechanism of charge trapping at grain boundaries [52]. It was also found in further studies that the growth of C60 on the surface of Parylene C at elevated substrate temperatures leads to the creation of radicals at the interface

• between the active layer and the gate dielectric. The radicals formed during the C60 deposition help to improve the bias stress stability of C60-based n-type OFETs [53]. The creation of free radicals was also observed for a double-gate configuration with Parylene C as a dielectric layer [54]. This effect

A nanocomplex of C₆₀ fullerene with cisplatin: design, characterization and toxicity

• Svitlana Prylutska,
• Svitlana Politenkova,
• Kateryna Afanasieva,
• Volodymyr Korolovych,
• Kateryna Bogutska,
• Andriy Sivolob,
• Larysa Skivka,
• Maxim Evstigneev,
• Viktor Kostjukov,
• Yuriy Prylutskyy and
• Uwe Ritter

Beilstein J. Nanotechnol. 2017, 8, 1494–1501, doi:10.3762/bjnano.8.149

• ., 25, 98693 Ilmenau, Germany 10.3762/bjnano.8.149 Abstract The self-organization of C60 fullerene and cisplatin in aqueous solution was investigated using the computer simulation, dynamic light scattering and atomic force microscopy techniques. The results evidence the complexation between the two

• . The results clearly demonstrate that water-soluble C60 fullerene nanoparticles (0.1 mg/mL) do not induce DNA strand breaks in normal and transformed cells. C60 fullerene in the mixture with Cis does not influence genotoxic Cis activity in vitro, affects the cell-death mode in treated resting human

• lymphocytes and reduces the fraction of necrotic cells. Keywords: atomic force microscopy; C60 fullerene; cisplatin; comet assay; computer simulation; dynamic light scattering; flow cytometry; human lymphocytes; toxicity in vitro; Introduction The water-soluble inorganic bi-valent platinum derivative

Development of a nitrogen-doped 2D material for tribological applications in the boundary-lubrication regime

• Shende Rashmi Chandrabhan,
• Velayudhanpillai Jayan,
• Somendra Singh Parihar and
• Sundara Ramaprabhu

Beilstein J. Nanotechnol. 2017, 8, 1476–1483, doi:10.3762/bjnano.8.147

• C60 molecules as additive in lubricant oil [8][9][10]. Subsequently, researchers studied the tribological properties of carbon-based additives such as graphite [1], graphene [2][6], carbon spheres [11][12] and carbon nanotubes [13][14][15]. In addition, several reports are available on the

Spin-chemistry concepts for spintronics scientists

• Konstantin L. Ivanov,
• Alexander Wagenpfahl,
• Carsten Deibel and
• Jörg Matysik

Beilstein J. Nanotechnol. 2017, 8, 1427–1445, doi:10.3762/bjnano.8.143

• coupling is usually of lesser importance, unless the hyperfine interaction is strongly suppressed (e.g. in C60, which lacks the protons and contains 99% 12C, having zero nuclear spin [87]) or heavy metal atoms are present as part of the molecule or by doping [86][88]. An MFE can also be observed by

Adsorption characteristics of Er₃N@C₈₀on W(110) and Au(111) studied via scanning tunneling microscopy and spectroscopy

• Sebastian Schimmel,
• Zhixiang Sun,
• Danny Baumann,
• Denis Krylov,
• Nataliya Samoylova,
• Alexey Popov,
• Bernd Büchner and
• Christian Hess

Beilstein J. Nanotechnol. 2017, 8, 1127–1134, doi:10.3762/bjnano.8.114

• respect to the bulk fcc termination. Independent of monolayer orientation, the spacing between the fullerenes is the same value. This finding is reminiscent of results by Altman and Colton [16][17]. They performed detailed studies regarding the adsorption behavior of C60 on Au(111). There, even though the

• diameter of C60 is smaller than that of Er3N@C80, similar orientations of the monolayer were observed. Since the monolayer orientation of C60 is determined by the orientation of the step edge [16], a similar reason for the two observed phases of Er3N@C80-monolayers is likely. Thus, an adsorption to a step

• longer annealing times and different temperatures were not further elaborated within this study, our conjecture is corroborated by pertinent results for C60-fullerenes on Au(111) [14][17][19][20][21]. The above results show that the monolayer growth and the minimization of the interface energy lead to a

Stable Au–C bonds to the substrate for fullerene-based nanostructures

• Taras Chutora,
• Jesús Redondo,
• Bruno de la Torre,
• Martin Švec,
• Pavel Jelínek and
• Héctor Vázquez

Beilstein J. Nanotechnol. 2017, 8, 1073–1079, doi:10.3762/bjnano.8.109

• adsorption energy on the Au(111) surface that is 1.6 eV higher than that of C60 molecules. This increased binding energy arises from the saturation by the Au surface of the bonds around the molecular vacancy defect. We therefore interpret the observed features as adsorbed fullerene-derived molecules with C

• as well as anchoring groups [9][10][11][12]. They have featured in spin transport studies, where spin currents can be achieved by encapsulating magnetic atoms or impurities inside the fullerene cage [13][14][15][16][17][18]. The adsorption of C60 on the metal surface determines the strength and

• , an assumption discussed below. C59 molecules have the highest energetic stability (difference between the cluster energy and the sum of the energy of the individual C atoms) after C60 [23][24][25]. These findings are corroborated by total-energy DFT simulations. Since the diffusion of fullerenes on

Needs and challenges for assessing the environmental impacts of engineered nanomaterials (ENMs)

• Michelle Romero-Franco,
• Hilary A. Godwin,
• Muhammad Bilal and
• Yoram Cohen

Beilstein J. Nanotechnol. 2017, 8, 989–1014, doi:10.3762/bjnano.8.101

• easily aggregated, of providing qualitative metrics for ENM ranking (e.g., “most-least” favorable) [32]. The SMAA-TRI approach has been demonstrated for ranking of C60, multi-walled carbon nanotubes (MWCNTs), CdSe, Ag nanoparticles (NP), and Al NP according to the following scales: size (quantitative

• high-risk category with a 98% probability. In contrast, the ranking for C60 was fairly evenly divided between medium risk (51% probability) and high risk (49% probability), and Al NP was fairly evenly divided between medium risk (34% probability) and low risk (33% probability) [34]. As illustrated by

• risk communication strategies. The use of NanoRiskCat was demonstrated for categorization of the following ENM containing products: cleansing soap (containing nano Ag), tennis rackets (CNTs), automotive oil (Fullerene C60), and sunblock (nano ZnO), among others [35]. NanoRiskCat analysis concluded that

Energy-level alignment at interfaces between manganese phthalocyanine and C₆₀

• Daniel Waas,
• Florian Rückerl,
• Martin Knupfer and
• Bernd Büchner

Beilstein J. Nanotechnol. 2017, 8, 927–932, doi:10.3762/bjnano.8.94

• fullerene C60. We show that this energy-level alignment depends upon the preparation sequence, which is explained by different molecular orientations. Moreover, our results demonstrate that MnPc/C60 interfaces are hardly suited for application in organic photovoltaic devices, since the energy difference of

• the two lowest unoccupied molecular orbitals (LUMOs) is rather small. Keywords: C60; manganese phthalocyanine (MnPc); organic interfaces; photoelectron spectroscopy (PES); Introduction Within the last decades we have witnessed considerable progress in the development and understanding of organic

• and an appropriate electron acceptor is a crucial process. Often, fullerenes (C60) and their derivatives are used as acceptor materials. Amongst the transition-metal phthalocyanines MnPc is exceptional in some respects. Due to the participation of manganese 3d orbitals to the molecular electronic

Investigation of growth dynamics of carbon nanotubes

• Marianna V. Kharlamova

Beilstein J. Nanotechnol. 2017, 8, 826–856, doi:10.3762/bjnano.8.85

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C₆₀ fullerene using Nano-QSPR

• Piotr Urbaszek,
• Agnieszka Gajewicz,
• Celina Sikorska,
• Maciej Haranczyk and
• Tomasz Puzyn

Beilstein J. Nanotechnol. 2017, 8, 752–761, doi:10.3762/bjnano.8.78

• , 80-308 Gdańsk, Poland IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid, Spain 10.3762/bjnano.8.78 Abstract Many technological implementations in the field of nanotechnology have involved carbon nanomaterials, including fullerenes such as the buckminsterfullerene, C60. The

• bromine and/or chlorine in dibenzo-p-dioxins on their sorption ability on the C60 fullerene surface. Halogenated dibenzo-p-dioxins (PXDDs, where X = Br or Cl) are ever-present in the environment and accidently produced in many technological processes in only approximately known quantities. If all

• the adsorption energy [kcal/mol] for 1,701 PXDDs adsorbed on C60 (PXDD@C60). Based on the QSPR model reported herein, we concluded that the lowest energy PXDD@C60 complexes are those that the World Health Organization (WHO) considers to be less dangerous with respect to the aryl hydrocarbon receptor

Reasons and remedies for the agglomeration of multilayered graphene and carbon nanotubes in polymers

• Rasheed Atif and
• Fawad Inam

Beilstein J. Nanotechnol. 2016, 7, 1174–1196, doi:10.3762/bjnano.7.109

• polymers. Carbon nanotubes CNTs were first discovered by Iijima in 1991, who produced multiwalled carbon nanotubes (MWNTs) through arc-discharge evaporation [33]. The synthesis of CNTs can be linked to the discovery of fullerene C60 (buckyball) in 1985 [34]. CNTs can be regarded as one dimensional carbon

Charge and heat transport in soft nanosystems in the presence of time-dependent perturbations

• Alberto Nocera,
• Carmine Antonio Perroni,
• Vincenzo Marigliano Ramaglia and
• Vittorio Cataudella

Beilstein J. Nanotechnol. 2016, 7, 439–464, doi:10.3762/bjnano.7.39

• to the figure of merit ZT at room temperature. Parameters appropriate for junctions based on C60 molecules connected between different metallic leads have been considered for the thermoelectric transport. We have finally generalized the treatment of the heat transport to the case where also electron

• that is sufficiently separated in energy from other orbitals. We have in mind, for instance, the C60 molecule when the LUMO energy differs from the HOMO energy for more than 1 eV. Even when the degeneracy of the LUMO is removed by the contact with Ag leads, the splitting gives rise to levels that are

• molecule, which is expected to have the lowest frequency for large molecules. In fact, in C60 molecules, experimental results provide compelling evidence for a coupling between electron dynamics and the center-of-mass motion where has been estimated to be of the order of 5 meV [9]. Furthermore, as

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

• was only in the mid-1980s that H. Kroto, R. Smalley and R. Curl were able to detect the first fullerene molecule obtained by laser vaporization of carbon from a graphite target using mass spectroscopy [22]. The name fullerene (C60) was dedicated to the architect Buckminster Fuller who was famous for

• designing and building geodesic domes [23]. The C60 molecule is composed of hexagonal and pentagonal faces to form a spherical structure similar to a soccer ball with a diameter of ≈10 Å. This icosahedral symmetry was only first experimentally demonstrated in the 1990s by nuclear magnetic resonance [24

• ]. The C60 was the first 0D allotrope of carbon discovered but it is not the only one. In fact, large quantities of C70, C76, C78, C84 and even larger clusters, such as C240 and C330, have also been synthetized and studied [25]. In particular, C70 can be seen as a C60 molecule with a belt of five

High electronic couplings of single mesitylene molecular junctions

• Yuki Komoto,
• Shintaro Fujii,
• Tomoaki Nishino and
• Manabu Kiguchi

Beilstein J. Nanotechnol. 2015, 6, 2431–2437, doi:10.3762/bjnano.6.251

• as benzene derivatives [17][19][20], C60 [23][24], ethylene [25], and pyrazine [22][26]. The conductance values of these molecular junctions were close to those of metal atomic contacts. The high electronic conductance is expected to be caused by effective metal–molecule couplings in the direct π

Negative differential electrical resistance of a rotational organic nanomotor

• Hatef Sadeghi,
• Sara Sangtarash,
• Qusiy Al-Galiby,
• Rachel Sparks,
• Steven Bailey and
• Colin J. Lambert

Beilstein J. Nanotechnol. 2015, 6, 2332–2337, doi:10.3762/bjnano.6.240

• pendant moiety anchored to an organic backbone between two C60 fullerenes, which in turn are connected to gold electrodes. Ab initio density functional calculations are used to demonstrate that an electric field induces rotation of the pendant group, leading to a nonlinear current–voltage relation. The

• conformational changes when the C60 molecules are attached to metallic electrodes. Our calculations will demonstrate that such conformation changes lead to NDR. Results and Discussion The dumbbell molecular switch shown in Figure 1 consists of three main sections, the backbone, the terminating groups and the

• branch. The backbone consists of five interconnected phenyl rings with attached methyl groups to prevent the backbone from twisting and is stabilized at either end by a fullerene, C60 terminating group. The C60 at either end not only stabilizes the molecule, but also allows the molecule to appear more

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials

• Katre Juganson,
• Angela Ivask,
• Irina Blinova,
• Monika Mortimer and
• Anne Kahru

Beilstein J. Nanotechnol. 2015, 6, 1788–1804, doi:10.3762/bjnano.6.183

• NPs (TiO2, ZnO, CuO, Ag, SWCNTs, MWCNTs and C60 fullerenes) and seven organism groups representing different trophic levels (bacteria, algae, crustaceans, ciliates, fish, yeasts and nematodes). Altogether 77 toxicity values were analysed [24]. In our recent review [4], we summarised the recent

Enhanced fullerene–Au(111) coupling in (2√3 × 2√3)R30° superstructures with intermolecular interactions

• Michael Paßens,
• Rainer Waser and
• Silvia Karthäuser

Beilstein J. Nanotechnol. 2015, 6, 1421–1431, doi:10.3762/bjnano.6.147

• of importance for the activation of a Au vacancy forming process and thus, one criterion for the selection of the respective superstructure. However, here it is depicted that a vacancy–adatom pair can be formed even at room temperature. This latter process results in C60 molecules that appear

• slightly more bright in scanning tunnelling microscopy images and are identified in disordered (2√3 x 2√3)R30° superstructures based on a detailed structure analysis. In addition, these slightly more bright C60 molecules form uniform (2√3 x 2√3)R30° superstructures, which exhibit intermolecular

• interactions, likely mediated by Au adatoms. Thus, vacancy–adatom pairs forming at room temperature directly affect the resulting C60 superstructure. Differential conductivity spectra reveal a lifting of the degeneracy of the LUMO and LUMO+1 orbitals in the uniform (2√3 x 2√3)R30° superstructure and in

Nano-contact microscopy of supracrystals

• Adam Sweetman,
• Nicolas Goubet,
• Ioannis Lekkas,
• Marie Paule Pileni and
• Philip Moriarty

Beilstein J. Nanotechnol. 2015, 6, 1229–1236, doi:10.3762/bjnano.6.126

• a different region of the sample. During this imaging sequence we also measured the quantitative force data shown in Figure 2D,E. The peak attractive force is of order 200−400 pN, comparable to that measured between two weakly interacting (C60) molecules, where the interaction is entirely due to

Fulleropeptide esters as potential self-assembled antioxidants

• Mira S. Bjelaković,
• Tatjana J. Kop,
• Jelena Đorđević and
• Dragana R. Milić

Beilstein J. Nanotechnol. 2015, 6, 1065–1071, doi:10.3762/bjnano.6.107

• delocalization of the π-electronic system over the C60 sphere, its antioxidant capacity remained high for all twelve derivatives. The compounds expressed up to two-fold and 5–12-fold better peroxide quenching capacity as compared to pristine C60 and standard antioxidant vitamin C, respectively. During

• contribution to the development of carriers for biomolecules [21]. Higashi and co-workers have reported the aggregation properties and a high superoxide scavenging activity of fullerene–poly(Glu)peptide nanoparticles as self-assembled structures [22]. Fullerene C60 and fulleropyrrolidine derivatives showed

• /2) of the studied compounds together with those of pristine C60 (as a reference compound [29]) are listed in Table 1. The voltammetric behavior of the compounds is characterized by the presence of four reversible, one-electron reductions, all attributable to the 58 member π-electron system of

Statistics of work and orthogonality catastrophe in discrete level systems: an application to fullerene molecules and ultra-cold trapped Fermi gases

• Antonello Sindona,
• Michele Pisarra,
• Mario Gravina,
• Cristian Vacacela Gomez,
• Pierfrancesco Riccardi,
• Giovanni Falcone and
• Francesco Plastina

Beilstein J. Nanotechnol. 2015, 6, 755–766, doi:10.3762/bjnano.6.78

• work done in the C60 molecule, following the core ionization of a carbon atom, and a harmonically trapped Fermi gas, following the sudden switch on of a localized perturbation, assumed to have an s-wave-like character. In particular, we propose a numerical approach suitable for low-temperature regimes

• are described by a d-polarized double split-valence pseudo-basis, being specifically designed for the considered ECP and optimized for the neutral (C60) and ionized () clusters [18][19]. As for the core and valence electrons of all other atoms in the compound, we select the d-polarized triple split

• clusters are explicitly taken into account except for the one removed from the reference atom. Convergence for C60 and leads to optimized ground state wave functions made of single Slater determinants of 179 pairs of occupied molecular orbitals (MOs), which are linear combinations of 1135 contracted