Investigating structural and electronic properties of neutral zinc clusters: a G₀W₀ and G₀W₀Г₀⁽¹⁾ benchmark

• Sunila Bakhsh,
• Muhammad Khalid,
• Sameen Aslam,
• Muhammad Sohail,
• Muhammad Aamir Iqbal,
• Mujtaba Ikram and
• Kareem Morsy

Beilstein J. Nanotechnol. 2024, 15, 310–316, doi:10.3762/bjnano.15.28

• PBE functional. The binding energies show the two-knee behavior also seen in metal clusters of various species. Electronic properties, such as IP, EA, and the relative hardness of the clusters, have been obtained using the G0W0@PBE in FHI-aims. The IP benchmark shows the size evolution behavior of the

Metal-organic framework-based nanomaterials as opto-electrochemical sensors for the detection of antibiotics and hormones: A review

• Akeem Adeyemi Oladipo,
• Saba Derakhshan Oskouei and
• Mustafa Gazi

Beilstein J. Nanotechnol. 2023, 14, 631–673, doi:10.3762/bjnano.14.52

• conductive porous materials has only recently come to light. Recent research has demonstrated that the nature of metal clusters, their size, and the kind of organic linkers all affect the MOFs’ electronic properties [80][81]. To clarify the electrical properties of MOFs, Kuc et al. [80] used tight-binding

• authors pointed out that metal clusters (for example, isoreticular MOFs) essentially define the overall electronic properties of MOFs and provide MOFs with the characteristics of a wide-bandgap semiconductor like ZnO. The size of the organic linker and the hybridization of the central atom of the linker

Studies of probe tip materials by atomic force microscopy: a review

• Ke Xu and
• Yuzhe Liu

Beilstein J. Nanotechnol. 2022, 13, 1256–1267, doi:10.3762/bjnano.13.104

• attractive platform, offering more possibilities for sharpening tips in a controlled manner. These metal clusters can be easily generated with various metals (e.g., Ir, Au, Ni, Co, Pb, or Sn), allowing the generation of nano-tips with different functionalities. The good point is that these clusters were

Irradiation-driven molecular dynamics simulation of the FEBID process for Pt(PF₃)₄

• Alexey Prosvetov,
• Alexey V. Verkhovtsev,
• Gennady Sushko and
• Andrey V. Solov’yov

Beilstein J. Nanotechnol. 2021, 12, 1151–1172, doi:10.3762/bjnano.12.86

• molecule, on a SiO2 surface. The simulations reveal the processes driving the initial phase of nanostructure formation during FEBID, including the nucleation of Pt atoms and the formation of small metal clusters on the surface, followed by their aggregation and the formation of dendritic platinum

• process, including nucleation of Pt atoms, formation of small metal clusters on the surface followed by their aggregation, and eventually, the formation of dendritic platinum nanostructures. The morphology of the nanostructures grown during the FEBID process has not yet been thoroughly investigated on the

• these simulations are described in this section. In particular, the detailed structural analysis of nucleated metal clusters is in focus. IDMD simulations have been performed for 30 cycles of the FEBID process with a total simulation time of 300 ns. The accumulated fluence of PE is ca. 1.04 × 1019 cm−2

Prediction of Co and Ru nanocluster morphology on 2D MoS₂ from interaction energies

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

• stability of metal clusters on MoS2, and how these interactions change in the presence of a sulfur vacancy, to develop insight to allow for a prediction of thin film morphology. The strength of interaction between the metals and MoS2 is in the order Co > Ru. The competition between metal–substrate and metal

Synthesis of nickel/gallium nanoalloys using a dual-source approach in 1-alkyl-3-methylimidazole ionic liquids

• Ilka Simon,
• Julius Hornung,
• Juri Barthel,
• Jörg Thomas,
• Maik Finze,
• Roland A. Fischer and
• Christoph Janiak

Beilstein J. Nanotechnol. 2019, 10, 1754–1767, doi:10.3762/bjnano.10.171

• carbene ligands (NHC) stabilize metal clusters and nanoparticles [44]. By insertion of the transition-metal center into the C2–H bond of imidazolium salts, transition-metal hydride complexes are formed [45]. Finally, H transfer reactions from the transition metal to GaCp* lead to the release of Cp*H

Materials nanoarchitectonics at two-dimensional liquid interfaces

• Katsuhiko Ariga,
• Michio Matsumoto,
• Taizo Mori and
• Lok Kumar Shrestha

Beilstein J. Nanotechnol. 2019, 10, 1559–1587, doi:10.3762/bjnano.10.153

• systems fabricated with low-dimensional materials are actively investigated. For example, Lvov and co-workers reported the immobilization of small functional materials such as metal clusters and metal catalysts within one-dimensional halloysite clay nanotubes to make them work under appropriate protection

Imaging the surface potential at the steps on the rutile TiO₂(110) surface by Kelvin probe force microscopy

• Masato Miyazaki,
• Huan Fei Wen,
• Quanzhen Zhang,
• Yuuki Adachi,
• Jan Brndiar,
• Ivan Štich,
• Yan Jun Li and
• Yasuhiro Sugawara

Beilstein J. Nanotechnol. 2019, 10, 1228–1236, doi:10.3762/bjnano.10.122

• low coordination and unique charge distribution [16][17][18][19]. In the case of TiO2, steps act as preferential sites for the adsorption of molecules and metal clusters [20][21][22], as active sites for catalytic reactions [23][24][25], and as the central elements of surface reconstructions [26][27

Hydrophilicity and carbon chain length effects on the gas sensing properties of chemoresistive, self-assembled monolayer carbon nanotube sensors

• Juan Casanova-Cháfer,
• Carla Bittencourt and
• Eduard Llobet

Beilstein J. Nanotechnol. 2019, 10, 565–577, doi:10.3762/bjnano.10.58

• more responsive to nitrogen dioxide than Au, Pt or Pd-decorated CNTs when operated at room temperature [10][18][40]. This was attributed to a stronger interaction and charge transfer between nitrogen dioxide and oxygenated defects in CNTs than with metal clusters. Possibly the surface of metal clusters

Metal-free catalysis based on nitrogen-doped carbon nanomaterials: a photoelectron spectroscopy point of view

• Mattia Scardamaglia and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2018, 9, 2015–2031, doi:10.3762/bjnano.9.191

• . Indeed, the graphitic network can be easily modified by the introduction of heteroatoms, functional groups or defects, such as dislocations, vacancies or edges [25][34][35]. They act as active sites for electron localization or they are useful to anchor metal clusters or foreign molecules that will, in

Synthesis of rare-earth metal and rare-earth metal-fluoride nanoparticles in ionic liquids and propylene carbonate

• Marvin Siebels,
• Lukas Mai,
• Laura Schmolke,
• Kai Schütte,
• Juri Barthel,
• Junpei Yue,
• Jörg Thomas,
• Bernd M. Smarsly,
• Anjana Devi,
• Roland A. Fischer and
• Christoph Janiak

Beilstein J. Nanotechnol. 2018, 9, 1881–1894, doi:10.3762/bjnano.9.180

• to ion chromatographic (IC) analysis, a fluoride source other than the [BF]− anion can be excluded since the IL contains only a very small amount of fluoride ions (below 1 ppm, see Experimental section for IC analysis conditions) [44][45]. Alternatively, reactive metal atoms or metal clusters may

Comparative study of antibacterial properties of polystyrene films with TiO_x and Cu nanoparticles fabricated using cluster beam technique

• Vladimir N. Popok,
• Cesarino M. Jeppesen,
• Peter Fojan,
• Anna Kuzminova,
• Jan Hanuš and
• Ondřej Kylián

Beilstein J. Nanotechnol. 2018, 9, 861–869, doi:10.3762/bjnano.9.80

• considered, namely a potential contamination with Cu ions. Hence, polymers with Cu NPs should be used carefully in the cases of food or drugs. Experimental Preparation of polymer films with metal clusters PS films are prepared by a standard spin-coating procedure from a solvent mixture of 2 wt % PS in

Synthesis of metal-fluoride nanoparticles supported on thermally reduced graphite oxide

• Alexa Schmitz,
• Kai Schütte,
• Vesko Ilievski,
• Juri Barthel,
• Laura Burk,
• Rolf Mülhaupt,
• Junpei Yue,
• Bernd Smarsly and
• Christoph Janiak

Beilstein J. Nanotechnol. 2017, 8, 2474–2483, doi:10.3762/bjnano.8.247

• amidinate decomposition may lead to further hydrolysis of [BF4]− and fluoride formation with the residual water. Fluoride ions can then lead to the formation of metal fluorides [65]. Alternatively, reactive metal atoms or metal clusters may also abstract fluoride from [BF4]− anions. ILs are already

Au₅₅, a stable glassy cluster: results of ab initio calculations

• Dieter Vollath,
• David Holec and
• Franz Dieter Fischer

Beilstein J. Nanotechnol. 2017, 8, 2221–2229, doi:10.3762/bjnano.8.222

• ] concluded that it is quite difficult to define a crystalline or a non-crystalline state in case of small metal clusters. Certainly, one must not use these terms as in the case of bulk materials. On one hand, even a “well-crystallized” small cluster will not show symmetries or long-range order as they are

From iron coordination compounds to metal oxide nanoparticles

• Mihail Iacob,
• Carmen Racles,
• Codrin Tugui,
• George Stiubianu,
• Adrian Bele,
• Liviu Sacarescu,
• Daniel Timpu and
• Maria Cazacu

Beilstein J. Nanotechnol. 2016, 7, 2074–2087, doi:10.3762/bjnano.7.198

• of iron/chromium oxide from mixed metal clusters with preservation of the mass ratio of iron and chromium [22][23]. In the current study, we present various approaches for preparing iron oxide or mixed oxide nanoparticles using metal complexes as precursors with or without stabilizing agents. Some of

Cubic chemically ordered FeRh and FeCo nanomagnets prepared by mass-selected low-energy cluster-beam deposition: a comparative study

• Veronique Dupuis,
• Anthony Robert,
• Arnaud Hillion,
• Ghassan Khadra,
• Nils Blanc,
• Damien Le Roy,
• Florent Tournus,
• Clement Albin,
• Olivier Boisron and
• Alexandre Tamion

Beilstein J. Nanotechnol. 2016, 7, 1850–1860, doi:10.3762/bjnano.7.177

• what is expected for free 3D transition metal clusters [33] the magnetic signal of FeCo clusters increases with size for as-prepared and annealed FeCo clusters embedded in a carbon matrix. Moreover, the reduced magnetic moments in the FeCo nanoparticles, which could be due to the formation of a non

Distribution of Pd clusters on ultrathin, epitaxial TiO_x films on Pt₃Ti(111)

• Christian Breinlich,
• Maria Buchholz,
• Marco Moors,
• Tobias Pertram,
• Conrad Becker and
• Klaus Wandelt

Beilstein J. Nanotechnol. 2015, 6, 2007–2014, doi:10.3762/bjnano.6.204

• spillover to the metal particles [1][2]. Thus, the investigation of the properties of supported metal clusters and the influence of the metal-oxide interfaces are of great interest. In particular, titanium oxides are often correlated with the so-called strong metal support interaction (SMSI) effect, which

• describes the influence of a transition metal oxide support on noble metal clusters yielding novel catalytic properties [1][2][3][4][5][6][7]. In order to understand this effect, well-defined model systems are needed. “Well-defined” refers to both the clusters and the supporting substrate, as exemplified in

• the resulting films and their improved reproducibility compared to films grown by “reactive evaporation” [7]. Both the z'-TiOx phase on Pt(111) and the Moiré superstructure of the alumina film on Ni3Al(111) have already been proven to be excellent templates for the ordered growth of metal clusters

Heterometal nanoparticles from Ru-based molecular clusters covalently anchored onto functionalized carbon nanotubes and nanofibers

• Deborah Vidick,
• Xiaoxing Ke,
• Michel Devillers,
• Claude Poleunis,
• Arnaud Delcorte,
• Pietro Moggi,
• Gustaaf Van Tendeloo and
• Sophie Hermans

Beilstein J. Nanotechnol. 2015, 6, 1287–1297, doi:10.3762/bjnano.6.133

• molecular mixed-metal clusters as precursors for depositing heterometal nanoparticles on carbon nanotubes and nanofibers. The advantages of such precursors are that they present well-defined molecular structures and exchangeable ligands, the metal atoms are in the zero oxidation state and bimetal

• and STEM-EDX analysis to prove their bimetal nature on the scale of an individual nanoparticle. This demonstrated that mixed-metal clusters are suitable precursors for ultrasmall heterometal nanoparticles of controlled composition if their reactivity is taken into account. The obtained Ru–Pt

• , (b) an amorphous layer can be seen around the nanoparticles at higher magnification. HAADF-STEM image of Ru–Pt/MWNT derived from Ru5PtC(CO)14(COD) (4). STEM-EDX of individual nanoclusters. (a) HAADF-STEM image of a nanotube with metal clusters. The spectra were collected from point 1 (larger

Pt- and Pd-decorated MWCNTs for vapour and gas detection at room temperature

• Hamdi Baccar,
• Atef Thamri,
• Pierrick Clément,
• Eduard Llobet and
• Adnane Abdelghani

Beilstein J. Nanotechnol. 2015, 6, 919–927, doi:10.3762/bjnano.6.95

• area, is essential to maximize the effect of adsorbates on metal clusters, which may result in higher sensitivity. Second, while the duration of the sputtering decoration step was basically the same for Pt and Pd, the power used for decorating MWCNTs with Pd was significantly higher than for Pt

Electronic and electrochemical doping of graphene by surface adsorbates

• Hugo Pinto and
• Alexander Markevich

Beilstein J. Nanotechnol. 2014, 5, 1842–1848, doi:10.3762/bjnano.5.195

• Dirac point and the Fermi level shows that approximately one electron is transferred per adsorbed K atom. The doping properties were also explored for different transition metal clusters (Ti, Fe and Pt) deposited on graphene by molecular beam epitaxy (MBE) [30]. The Ti and Fe metal clusters were found

Constant chemical potential approach for quantum chemical calculations in electrocatalysis

• Wolfgang B. Schneider and
• Alexander A. Auer

Beilstein J. Nanotechnol. 2014, 5, 668–676, doi:10.3762/bjnano.5.79

• for the given potentials was achieved. For benzene, calculated at the RI-BP86/aug-ccPVTZ level of theory, convergence of the absolute potential and the energy was observed after 55 iterations. For the metal clusters Pt4 and Pt10, calculated at the RI-BP86/def2-TZVP level of theory, convergence was

Nanoscale patterning of a self-assembled monolayer by modification of the molecule–substrate bond

• Cai Shen and
• Manfred Buck

Beilstein J. Nanotechnol. 2014, 5, 258–267, doi:10.3762/bjnano.5.28

• magnetic metals deposited at both underpotential and overpotential, or to semiconductors makes the present scheme interesting for the generation of functional nanostructures. Furthermore, a deposition in the overpotential range at the defects offers the possibility to generate well-defined arrays of metal

• clusters provided the size of the defects in the SAM can be precisely controlled. Experimental SAM preparation. 2-(4'-Methylbiphenyl-4-yl)ethanethiol (BP2) was synthesized as described previously [49]. Adamantanethiol (Sigma-Aldrich) and absolute ethanol (BDH) were used as received. Substrates (300 nm Au

Ni nanocrystals on HOPG(0001): A scanning tunnelling microscope study

• Michael Marz,
• Keisuke Sagisaka and
• Daisuke Fujita

Beilstein J. Nanotechnol. 2013, 4, 406–417, doi:10.3762/bjnano.4.48

• at the cluster edges resulting in a small tip–cluster distance. So far we have not succeeded in reversing the process, i.e., once a cluster is picked up it remains bound strongly to the tip. Conclusion In this study, the growth mode of small nickel metal clusters on HOPG has been investigated by

Low-dose patterning of platinum nanoclusters on carbon nanotubes by focused-electron-beam-induced deposition as studied by TEM

• Xiaoxing Ke,
• Carla Bittencourt,
• Sara Bals and
• Gustaaf Van Tendeloo

Beilstein J. Nanotechnol. 2013, 4, 77–86, doi:10.3762/bjnano.4.9

• the formation of a novel stripe-patterning of nanoclusters on the surface of the CNTs, which may open up new prospects of nanostructuring for applications in nanodevices dependent on the distribution of metal clusters. High-resolution transmission electron microscopy (HRTEM) and high-angle annular

Parallel- and serial-contact electrochemical metallization of monolayer nanopatterns: A versatile synthetic tool en route to bottom-up assembly of electric nanocircuits

• Jonathan Berson,
• Assaf Zeira,
• Rivka Maoz and
• Jacob Sagiv

Beilstein J. Nanotechnol. 2012, 3, 134–143, doi:10.3762/bjnano.3.14

• their ionic state (by electron transfer to surrounding water molecules [54][55]) or redeposit on preexisting stamp-metal grains, before aggregation into stable metal clusters residing on the OTS surface can occur. Conclusion The high selectivity achieved in the contact electrochemical deposition of