DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• adsorb atop the S atoms. Stability is driven by the number of Cu–Cu interactions and the distance between adsorption sites, with no obvious preference towards 2D or 3D structures. The introduction of a single S vacancy in the monolayer enhances the copper binding energy, although some Cun nanoclusters

• character of Cu nanoclusters is preserved. Keywords: copper (Cu); density functional theory (DFT); 2D materials; molybdenum disulfide (MoS2); thin film nucleation; Introduction Since the successful exfoliation of monolayers of graphene by Novoselov et al., 2D materials have gained a large interest in a

• (2D) and two configurations are 3D nanoclusters. For the flat adsorption structures, the four Cu atoms are adsorbed in a linear configuration, with Cu–Cu distances of around 3.2 Å, depending on the adsorption site, or in a 4-membered flat structure. In the 3D clusters, one configuration is a rhombus

Molecular architectonics of DNA for functional nanoarchitectures

• Debasis Ghosh,
• Lakshmi P. Datta and
• Thimmaiah Govindaraju

Beilstein J. Nanotechnol. 2020, 11, 124–140, doi:10.3762/bjnano.11.11

• pattern and extent of methylation throughout the genome. In particular, this constituted a promising sensor-free diagnostic platform for the detection of cancer. Chen and co-workers showed that the interaction of DNA with dithiothreitol (DTT)‐conjugated gold nanoclusters (Au NCs) results in the formation

Gold and silver dichroic nanocomposite in the quest for 3D printing the Lycurgus cup

• Lars Kool,
• Floris Dekker,
• Anton Bunschoten,
• Glen J. Smales,
• Brian R. Pauw,
• Aldrik H. Velders and
• Vittorio Saggiomo

Beilstein J. Nanotechnol. 2020, 11, 16–23, doi:10.3762/bjnano.11.2

• variations, we found that reducing silver ions at room temperature immediately followed by an addition of a polyvinylpyrrolidone (PVP) solution formed dichroic silver nanoparticles in minutes. The addition of the reducing agent (NaBH4) to a silver nitrate solution forms nanoclusters, and the immediate

Advanced hybrid nanomaterials

• Andreas Taubert,
• Fabrice Leroux,
• Pierre Rabu and
• Verónica de Zea Bermudez

Beilstein J. Nanotechnol. 2019, 10, 2563–2567, doi:10.3762/bjnano.10.247

• is the focus of an article reporting the performance of functionalized gold clusters deposited on ZrO2 nanoparticles for benzyl alcohol oxidation in [39]. Interestingly, the defunctionalized gold nanoclusters exhibit full catalytic conversion. Overall, this thematic issue clearly highlights not only

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• quasi-core–shell structure. In [23], the first results on modelling the formation of core–shell nanoclusters consisting of copper and silicon atoms in a melted state have been presented. In this paper, we have proposed novel principles of formation: 1) a core–shell structure made of a silicon/copper

• liquid alloy and 2) core–shell and Janus-like nanoparticles made of liquid silicon and copper droplets. We have presented new data on the formation of metal/semiconductor nanoclusters, such as the transition of particles from a core–shell structure to a Janus-like structure starting from the liquid state

• nanoclusters of various morphologies. Experimental Technique We used an installation based on a relativistic electron accelerator with an energy of 1.4 MeV and a current in the range of 5–25 mA as the heating source (Figure 1) to obtain composite nanoparticles. At the first step, the electron beam from the

Label-free highly sensitive probe detection with novel hierarchical SERS substrates fabricated by nanoindentation and chemical reaction methods

• Jingran Zhang,
• Tianqi Jia,
• Yongda Yan,
• Li Wang,
• Peng Miao,
• Yimin Han,
• Xinming Zhang,
• Guangfeng Shi,
• Yanquan Geng,
• Zhankun Weng,
• Daniel Laipple and
• Zuobin Wang

Beilstein J. Nanotechnol. 2019, 10, 2483–2496, doi:10.3762/bjnano.10.239

• internal cavities, the Raman intensity can be enhanced due to more Ag nanoparticles being generated in the pile-ups of cavities. It is indicated that Ag nanoparticles tend to form on the pile-ups of cavities for the hierarchical substrates. However, Ag nanoclusters are formed on the pile-ups of cavities

• with increase in the corrosion time in AgNO3 solution, as shown in Figure 2a,b. The Raman intensity can be enhanced further due to the formation of nanoclusters. Other scholars have already obtained similar conclusions [10][17][32]. Copper nanowires were soaked in AgNO3 solution by Wang et al. [10]. A

Multiple Fano resonances with flexible tunablity based on symmetry-breaking resonators

• Xiao bin Ren,
• Kun Ren,
• Ying Zhang,
• Cheng guo Ming and
• Qun Han

Beilstein J. Nanotechnol. 2019, 10, 2459–2467, doi:10.3762/bjnano.10.236

• photoswitches [8]. Various structures have been designed to realize Fano resonances, including metallic nanoclusters [9][10], individual plasmonic dolmen nanocavity [11], ring/disk cavities [12][13], and metamaterials and metasurfaces [14][15][16]. In particular, as an important geometry, waveguide–cavity

Targeted therapeutic effect against the breast cancer cell line MCF-7 with a CuFe₂O₄/silica/cisplatin nanocomposite formulation

• B. Rabindran Jermy,
• Vijaya Ravinayagam,
• Widyan A. Alamoudi,
• Dana Almohazey,
• Hatim Dafalla,
• Lina Hussain Allehaibi,
• Abdulhadi Baykal,
• Muhammet S. Toprak and
• Thirunavukkarasu Somanathan

Beilstein J. Nanotechnol. 2019, 10, 2217–2228, doi:10.3762/bjnano.10.214

• dispersive X-ray (EDX) mapping analysis showed the presence of homogeneous silica particles with nanoclusters of copper ferrite distributed on the HYPS support. Vibrating sample magnetometry (VSM) analysis of CuFe2O4/HYPS showed paramagnetic behavior with a saturated magnetization value of 7.65 emu/g. DRS UV

• (Figure 4 and Supporting Information File 1, Figure S1). TEM images of HYPS at different magnifications showed the presence of monodispersed spherical silica distributed uniformly in the range of about 80 nm (Figure 4a and 4b). The presence of spinel as agglomerated nanoclusters was clearly observed over

• consistent with the TEM analysis. For the copper ferrite nanoparticles, a homogeneous mixed metal oxide formation occurs as a major proportion coexisting with Cu nanoclusters (Supporting Information File 1, Figure S1). The magnetic properties of CuFe2O4/HYPS nanocomposites were measured using VSM (Figure 5

Toxicity and safety study of silver and gold nanoparticles functionalized with cysteine and glutathione

• Barbara Pem,
• Igor M. Pongrac,
• Lea Ulm,
• Ivan Pavičić,
• Valerije Vrček,
• Darija Domazet Jurašin,
• Marija Ljubojević,
• Adela Krivohlavek and
• Ivana Vinković Vrček

Beilstein J. Nanotechnol. 2019, 10, 1802–1817, doi:10.3762/bjnano.10.175

• Figure S7 in Supporting Information File 1). This is in accordance with recently published in vivo data on GSH-coated gold nanoclusters with promising theranostic properties [55][56]. Our GSH-AuNPs bypassed internalization by L929 cells similar to the interaction of GSH-protected Au nanoclusters with the

Structural and optical properties of penicillamine-protected gold nanocluster fractions separated by sequential size-selective fractionation

• Xiupei Yang,
• Zhengli Yang,
• Fenglin Tang,
• Jing Xu,
• Maoxue Zhang and
• Martin M. F. Choi

Beilstein J. Nanotechnol. 2019, 10, 955–966, doi:10.3762/bjnano.10.96

• University, 224 Waterloo Road, Kowloon Tong, Hong Kong SAR, China 10.3762/bjnano.10.96 Abstract Polydisperse water-soluble gold nanoclusters (AuNCs) protected by penicillamine have been synthesized in this work. The sequential size-selective precipitation (SSSP) technique has been applied for the size

• were removed from the AuNCs fractions. These results demonstrate the considerable potential of the SSSP technique for size-based separation and purification of AuNCs, achieving not only the isolation of larger nanoclusters (NCs) from small NCs in a continuous fashion, but also for the removal of small

• was investigated at room temperature. The results show that the peak emission energy of the size-selected AuNCs undergoes a blue shift when the size is decreased, which can be attributed to the quantum confinement effect. Keywords: gold nanoclusters; monolayer-protected gold nanoclusters; sequential

Thermal control of the defunctionalization of supported Au₂₅(glutathione)₁₈ catalysts for benzyl alcohol oxidation

• Zahraa Shahin,
• Hyewon Ji,
• Rodica Chiriac,
• Nadine Essayem,
• Franck Rataboul and
• Aude Demessence

Beilstein J. Nanotechnol. 2019, 10, 228–237, doi:10.3762/bjnano.10.21

• particle size effect on the catalytic activity. In contrast to most gold nanoclusters which have to be completely defunctionalized for maximum catalytic activity, the partially defunctionalized Au25(SG)18@ZrO2 catalyst, thermally treated at 300 °C, exhibits full conversion of benzyl alcohol within 15 h

• under atmospheric pressure with 94% selectivity towards benzaldehyde. Keywords: benzyl alcohol oxidation; glutathione; gold nanoclusters; partial defunctionalization; supported catalyst; zirconium oxide nanoparticles; Introduction Since Haruta’s discovery of the catalytic activity of gold

• GNPs is still ongoing [9][10]. Gold thiolate nanoclusters (GNCs) hold promise due to (i) their atomically well-defined structure with a precise formula, Aun(SR)m, in the range of n = 10 [11] to 279 [12], i.e., from 1 to 2.2 nm and (ii) for some of them their crystallographically solved structures [13

Wet chemistry route for the decoration of carbon nanotubes with iron oxide nanoparticles for gas sensing

• Hussam M. Elnabawy,
• Juan Casanova-Chafer,
• Badawi Anis,
• Mostafa Fedawy,
• Mattia Scardamaglia,
• Carla Bittencourt,
• Ahmed S. G. Khalil,
• Eduard Llobet and
• Xavier Vilanova

Beilstein J. Nanotechnol. 2019, 10, 105–118, doi:10.3762/bjnano.10.10

• the other hand, acetone and DMF had a negative effect on both the decoration distribution and particle size. As we can see in the case of acetone, the dispersion of the nanoclusters is not uniform or homogenous and some areas have high decoration density while some other areas have very low decoration

• density. Also, in the case of DMF we can notice that dispersion of the nanoclusters was better than for acetone, but still some areas have a high density of decoration in which agglomerates of large particle size are formed. According to these results, methanol was chosen as the most suitable solvent to

• nanoclusters. This is shown in Figure 9a. In addition, the nanocluster size distribution can be found in Supporting Information File 5, Figure S5. It can be concluded that the nanocluster size increases with increasing calcination time. Also, the Raman spectra for pristine CNTs along with decorated samples of

Zn/F-doped tin oxide nanoparticles synthesized by laser pyrolysis: structural and optical properties

• Florian Dumitrache,
• Iuliana P. Morjan,
• Elena Dutu,
• Ion Morjan,
• Claudiu Teodor Fleaca,
• Monica Scarisoreanu,
• Alina Ilie,
• Marius Dumitru,
• Cristian Mihailescu,
• Adriana Smarandache and
• Gabriel Prodan

Beilstein J. Nanotechnol. 2019, 10, 9–21, doi:10.3762/bjnano.10.2

• than 1000 particles in average), thus its penetration depth exceeds the mean particle size (few tens of nanometers). Consequently, the predominant presence of F at the nanopowder surface may be evidence for the assumption that freshly formed nanoclusters have a catalytic role in the partial

A novel polyhedral oligomeric silsesquioxane-modified layered double hydroxide: preparation, characterization and properties

• Xianwei Zhang,
• Zhongzhu Ma,
• Hong Fan,
• Carla Bittencourt,
• Jintao Wan and
• Philippe Dubois

Beilstein J. Nanotechnol. 2018, 9, 3053–3068, doi:10.3762/bjnano.9.284

• ]. These 3D nanoclusters follow the basic composition formula of Rn(SiO1.5)n and have a size of 1 to 3 nm in diameter when the vertex groups (R) are included. The siloxane cage in POSS provides the thermally and chemically robust framework, while the organic functionality can be chemically modified in a

Nanoantenna structures for the detection of phonons in nanocrystals

• Alexander G. Milekhin,
• Sergei A. Kuznetsov,
• Ilya A. Milekhin,
• Larisa L. Sveshnikova,
• Tatyana A. Duda,
• Ekaterina E. Rodyakina,
• Alexander V. Latyshev,
• Volodymyr M. Dzhagan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2018, 9, 2646–2656, doi:10.3762/bjnano.9.246

• transverse optical phonons are activated in the infrared spectra. Keywords: localized surface plasmon resonance; metal nanoclusters; nanoantenna; phonons; semiconductor nanocrystals; surface-enhanced infrared absorption; Introduction Surface-enhanced infrared absorption (SEIRA) by organic species placed on

• metal films, the enhancement was found to depend on the island aspect ratio and the size of the gap between nanoclusters [9][10]. It is worth noting that SEIRA is maximized for elongated metal nanoclusters (nanorods or nanoantennas) with a high aspect ratio (length-to-width ratio) and a small gap

• between nanoclusters [11]. However, stochastical distribution of metal nanoclusters in terms of size, shape, and orientation reduces the IR enhancement and impedes the study of SEIRA regularities. Further progress was achieved with the development of nanolithography techniques which made possible the

Enhancement of X-ray emission from nanocolloidal gold suspensions under double-pulse excitation

• Wei-Hung Hsu,
• Frances Camille P. Masim,
• Armandas Balčytis,
• Hsin-Hui Huang,
• Tetsu Yonezawa,
• Aleksandr A. Kuchmizhak,
• Saulius Juodkazis and
• Koji Hatanaka

Beilstein J. Nanotechnol. 2018, 9, 2609–2617, doi:10.3762/bjnano.9.242

• -absorption efficiency and an enhanced generation of high-energy electrons from a highly ionized plasma with high electron temperature [10][11] under intense laser irradiation. For an efficient augmentation in X-ray intensity, femtosecond (fs)-laser excitation of metal nanoparticles and nanoclusters is of

Two-dimensional photonic crystals increasing vertical light emission from Si nanocrystal-rich thin layers

• Lukáš Ondič,
• Marian Varga,
• Ivan Pelant,
• Alexander Kromka,
• Karel Hruška and
• Robert G. Elliman

Beilstein J. Nanotechnol. 2018, 9, 2287–2296, doi:10.3762/bjnano.9.213

• have been performed alongside. Photonic crystal-based nanostructures were employed to enhance the electroluminescence of Si nanoclusters with a broad emission band in the near IR region [23] and also of the emission line of Er embedded in SiNCs at telecom wavelengths [24][25]. In 2013, we have shown

Recent highlights in nanoscale and mesoscale friction

• Andrea Vanossi,
• Dirk Dietzel,
• Andre Schirmeisen,
• Ernst Meyer,
• Rémy Pawlak,
• Thilo Glatzel,
• Marcin Kisiel,
• Shigeki Kawai and
• Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

• -scale friction and mechanical control of specific single-asperity combinations, e.g., nanoclusters on layered materials, then scaling up to the meso/microscale of extended, occasionally lubricated, interfaces and driven trapped optical systems, and eventually up to the macroscale. Currently, this “hot

Green synthesis of fluorescent carbon dots from spices for in vitro imaging and tumour cell growth inhibition

• Nagamalai Vasimalai,
• Vânia Vilas-Boas,
• Juan Gallo,
• María de Fátima Cerqueira,
• Mario Menéndez-Miranda,
• José Manuel Costa-Fernández,
• Lorena Diéguez,
• Begoña Espiña and
• María Teresa Fernández-Argüelles

Beilstein J. Nanotechnol. 2018, 9, 530–544, doi:10.3762/bjnano.9.51

• months without any loss of their optical properties. Typically, C-dots exhibit an interesting excitation-dependent photoluminescence, entirely different from other luminescent materials such as semiconductor quantum dots, gold or silver nanoclusters. This luminescence is attributed to defect states of

Growth model and structure evolution of Ag layers deposited on Ge films

• Arkadiusz Ciesielski,
• Lukasz Skowronski,
• Ewa Górecka,
• Jakub Kierdaszuk and
• Tomasz Szoplik

Beilstein J. Nanotechnol. 2018, 9, 66–76, doi:10.3762/bjnano.9.9

• measurements immediately after the deposition process as well as 10 days later. The results are presented in Figure 8. There are two characteristic bands in the Raman spectra. The band centered at 270 cm−1 most likely originates from the confined optical phonon in ultra-small germanium nanoclusters, while the

• grown on Ge wetting films before (left) and after (right) the segregation process occurs. Large Ag grains (gray) seeded with Ge nanoclusters (green) are present at the SiO2/Ge/Ag interface, and their size decreases with increasing distance from the substrate. Imaginary part of permittivity for 35 nm

CdSe nanorod/TiO₂ nanoparticle heterojunctions with enhanced solar- and visible-light photocatalytic activity

• Fakher Laatar,
• Hatem Moussa,
• Halima Alem,
• Lavinia Balan,
• Emilien Girot,
• Ghouti Medjahdi,
• Hatem Ezzaouia and
• Raphaël Schneider

Beilstein J. Nanotechnol. 2017, 8, 2741–2752, doi:10.3762/bjnano.8.273

• eV) and its band energies are located at relatively low potential. Despite the large number of reports describing the sensitization of TiO2 (used in the form of spherical particles, films, wires, tubes, etc.) with CdSe nanocrystals (generally quantum dots or spherical nanoclusters) [9][10][11][12][13

The role of ligands in coinage-metal nanoparticles for electronics

• Ioannis Kanelidis and
• Tobias Kraus

Beilstein J. Nanotechnol. 2017, 8, 2625–2639, doi:10.3762/bjnano.8.263

• ]. In electron hopping charge carriers are activated thermally and the probability of hopping depends on the distance of the nearest unoccupied electronic state in the conduction band [53][57]. Murray et al. showed that electron hopping conductivities in films of gold nanoclusters stabilized by arene

Evaluating the toxicity of TiO₂-based nanoparticles to Chinese hamster ovary cells and Escherichia coli: a complementary experimental and computational approach

• Alicja Mikolajczyk,
• Natalia Sizochenko,
• Ewa Mulkiewicz,
• Anna Malankowska,
• Michal Nischk,
• Przemyslaw Jurczak,
• Seishiro Hirano,
• Grzegorz Nowaczyk,
• Adriana Zaleska-Medynska,
• Jerzy Leszczynski,
• Agnieszka Gajewicz and
• Tomasz Puzyn

Beilstein J. Nanotechnol. 2017, 8, 2171–2180, doi:10.3762/bjnano.8.216

• (Fe/N-co-doped) TiO2 nanocomposite particles were detectably cytotoxic [22]. More complex nanostructures of TiO2 bilayer nanosheets doped with bismuth tungstate (Bi2WO6) nanoclusters demonstrated enhanced antimicrobial activity towards E. coli: the bacteria population continuously decreased with the

Bright fluorescent silica-nanoparticle probes for high-resolution STED and confocal microscopy

• Isabella Tavernaro,
• Christian Cavelius,
• Henrike Peuschel and
• Annette Kraegeloh

Beilstein J. Nanotechnol. 2017, 8, 1283–1296, doi:10.3762/bjnano.8.130

• low tendency to agglomerate, which makes them suitable for biological nanoparticle uptake experiments. Not only allows the presented synthesis method for the embedding of different kinds of fluorophores (proteins, quantum dots or metallic nanoclusters), but the method also provide the option to gain

Nanoantenna-assisted plasmonic enhancement of IR absorption of vibrational modes of organic molecules

• Alexander G. Milekhin,
• Olga Cherkasova,
• Sergei A. Kuznetsov,
• Ilya A. Milekhin,
• Ekatherina E. Rodyakina,
• Alexander V. Latyshev,
• Sreetama Banerjee,
• Georgeta Salvan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2017, 8, 975–981, doi:10.3762/bjnano.8.99

• can be explained by the resonant SERS effect, as the energy of the local surface plasmon resonance (LSPR) of nanoclusters is located in the red spectral region, which is in resonance with the excitation energy. In the case of nanoantennas, the energy of longitudinal LSPR modes polarized along the