Unveiling the nature of atomic defects in graphene on a metal surface

• Karl Rothe,
• Nicolas Néel and
• Jörg Kröger

Beilstein J. Nanotechnol. 2024, 15, 416–425, doi:10.3762/bjnano.15.37

• increased tip–graphene hybridization compared to the far tunneling range, which may entail a modification of the graphene electronic structure or enhance the contribution of substrate states to the junction current [46]. The mounds and adjacent valleys of the moiré superstructure are characterized by

• on Pt(111) [14], and SiC() [16]. These resonances were interpreted as a collective excitation of the graphene π orbitals near the void [54], which depends on the coupling of the C atoms to the substrate surface. Therefore, the graphene–surface hybridization plays an important role in the occurrence

• due to an increased graphene–metal interaction compared with Pt(111), although both graphene–metal hybrid structures belong to the weak-hybridization regime [43]. Another rationale is the deviation of the observed defects 1 and 2 from a monatomic vacancy site, which will further be explored in 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

• 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

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

• multilayered nanostructures exhibit tunable plasmon resonance bands, resulting in additional shifts due to plasmon hybridization [62]. As an example, the interaction and hybridization of the plasmons of two separate metal shells (nanomatryushka) and two core dielectrics constitute the nanomatryushka

Cyclodextrins as eminent constituents in nanoarchitectonics for drug delivery systems

• Makoto Komiyama

Beilstein J. Nanotechnol. 2023, 14, 218–232, doi:10.3762/bjnano.14.21

• ′-direction to provide an overhang in both ends. Thus, the siRNA was captured by two kinds of antisense DNAs on the β-CyDs through RNA/DNA hybridization and co-assembled to the nanoparticles. Folic acid (for targeting tumors) and an influenza hemagglutinin peptide HA (for endosomal escape) were conjugated

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• the nickel atoms Ni1 and Ni2. This leads to a partial lifting of the symmetry of the ideal structures, resulting in overlap or hybridization of the d states (Figure 4). The above analysis demonstrates that oxygen vacancies affect not only the coordination environment around nickel atoms, but also

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• metallic substrates. Here, the hybridization between the molecular orbitals and the electronic states of the substrate generally modifies the intrinsic properties of the molecules, inducing the broadening of the molecular resonances, the narrowing of the band gap, and the development of interface states

• , the hybridization between the electronic states of the metallic substrate and the molecular orbitals is crucial to induce spin-polarized molecular states at the organic/inorganic interface [17][18][19]. Conversely, if either isolated molecules or self-assembled monolayers are adsorbed on solid

A comprehensive review on electrospun nanohybrid membranes for wastewater treatment

• Senuri Kumarage,
• Imalka Munaweera and
• Nilwala Kottegoda

Beilstein J. Nanotechnol. 2022, 13, 137–159, doi:10.3762/bjnano.13.10

• membranes due to the high surface area for particle adsorption. The hybridization of the electrospun membranes with additives improved the properties compared to pristine polymer membranes. GO, Fe2O3 and other metal oxides, HNTs, activated carbons, and zeolite are some of the frequently used additives for

Effect of lubricants on the rotational transmission between solid-state gears

• Huang-Hsiang Lin,
• Jonathan Heinze,
• Alexander Croy,
• Rafael Gutiérrez and
• Gianaurelio Cuniberti

Beilstein J. Nanotechnol. 2022, 13, 54–62, doi:10.3762/bjnano.13.3

• (green) and benzene/phenantrene (red/yellow). This is because, unlike benzene and phenantrene, hexadecene has sp3 hybridization, which results in a larger monolayer thickness. These important findings imply that lubricants at the nanoscale can be used to synchronize both gears and make the collective

Impact of electron–phonon coupling on electron transport through T-shaped arrangements of quantum dots in the Kondo regime

• Patryk Florków and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2021, 12, 1209–1225, doi:10.3762/bjnano.12.89

• interdot hoppings and dot-lead hybridization. The stable mean field solutions are found from the minimum of the free energy with respect to the mean values of boson operators and Lagrange multipliers. For the high-symmetry coupling cases discussed, where two Kondo dots play identical roles, the number of

• effective Fano parameters qeff, presented in the upper inset of Figure 2a decrease with increasing coupling. qeff are determined by the coupling-dependent effective site energy of the open dot through polaron shift and by the phonon-dependent hybridization strength , which changes according to the Franck

Molecular assemblies on surfaces: towards physical and electronic decoupling of organic molecules

• Sabine Maier and
• Meike Stöhr

Beilstein J. Nanotechnol. 2021, 12, 950–956, doi:10.3762/bjnano.12.71

• surface, for example, due to hybridization of molecular states with electronic bands from the metallic substrate, often alters the electronic properties of the molecules and, moreover, can even turn off their sought-after functionality. As a result of the (strong) interaction, the molecular scaffolds can

• of the substrate, for instance by adding or intercalating a decoupling layer, are often the better choice. In the best case, these interfacial layers have a large bandgap to prevent a hybridization with molecular states as well as with the metallic/semiconducting substrate. All the strategies for

• these ultrathin interfacial layers significantly reduce both the molecular adsorption energy and the hybridization of molecular states with the electronic bands in metals and semiconductors. However, charge transport is not completely inhibited, and electrons can still tunnel from the metal through

Comprehensive review on ultrasound-responsive theranostic nanomaterials: mechanisms, structures and medical applications

• Sepand Tehrani Fateh,
• Lida Moradi,
• Elmira Kohan,
• Michael R. Hamblin and
• Amin Shiralizadeh Dezfuli

Beilstein J. Nanotechnol. 2021, 12, 808–862, doi:10.3762/bjnano.12.64

Extended iron phthalocyanine islands self-assembled on a Ge(001):H surface

• Rafal Zuzak,
• Marek Szymonski and
• Szymon Godlewski

Beilstein J. Nanotechnol. 2021, 12, 232–241, doi:10.3762/bjnano.12.19

• scanning probe microscopes [1][2][3]. At the same time, however, metallic substrates usually influence the properties of adsorbed molecular species, leading to hybridization, charge transfer, or screening at the interface [4][5][6]. Also, metallic surfaces may provide relatively weak binding, dominated by

Kondo effects in small-bandgap carbon nanotube quantum dots

• Patryk Florków,
• Damian Krychowski and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2020, 11, 1873–1890, doi:10.3762/bjnano.11.169

• hybridization term [71]. In this approach, which is applied by us, one approximates the Green functions involving two conduction-electron operators by: The correlations and are most important for the Kondo effect. Lacroix EOM accounts not only for spin or pseudospin fluctuations, but also for charge

Self-standing heterostructured NiC_x-NiFe-NC/biochar as a highly efficient cathode for lithium–oxygen batteries

• Shengyu Jing,
• Xu Gong,
• Shan Ji,
• Linhui Jia,
• Bruno G. Pollet,
• Sheng Yan and
• Huagen Liang

Beilstein J. Nanotechnol. 2020, 11, 1809–1821, doi:10.3762/bjnano.11.163

• specific discharge capacity of the best sample was 27.14 mAh·cm−2 at a stable discharge voltage of 2.75 V. The hybridization between the d-orbital of Ni and s and p-orbitals of carbon in NiCx, formed at 900 °C, enhanced the electrocatalytic performance due to the synergistic effect between these components

• ]. The hybridization between the d-orbital of the transition metal and s- and p-orbitals of carbon effectively stretch the d-band structure of the transition metal. This results in a similar d-band of PGMs, which makes these metal carbides promising candidates to replace PGM-based ORR and OER catalysts

• towards ORR. The enhanced performance of NiFe-PBA/PP-900 was due to several reasons. The first reason is the hybridization between the d-orbital of Ni and s- and p-orbitals of carbon in NiCx formed at 900 °C, which yielded NiFeC containing NiFe alloy and NiCx and exhibited a superior electrocatalytic

The influence of an interfacial hBN layer on the fluorescence of an organic molecule

• Christine Brülke,
• Oliver Bauer and
• Moritz M. Sokolowski

Beilstein J. Nanotechnol. 2020, 11, 1663–1684, doi:10.3762/bjnano.11.149

• gas phase. For a second molecular layer, even without significant overlap of the wave functions of metal and molecule, quenching is also possible, because the CT may occur from the second layer to the metal via states in the first layer [5]. In principle, the hybridization of molecular and metallic

• ) between molecule and substrate, if present at all, is small. These differences between PTCDA/hBN/Cu(111) and PTCDA/Cu(111) are also mirrored by their vertical molecular structures. The hybridization of the electronic states of PTCDA and Cu leads to a distortion of the molecule where the oxygen atoms are

Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

• Jari Järvi,
• Patrick Rinke and
• Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589, doi:10.3762/bjnano.11.140

• Fermi level. The partial DOS of class Ox structures features hybridization of the electronic states, in comparison to the HOMO and LUMO of an isolated camphor. The hybridization implies chemical bonding between the molecule and the substrate in class Ox. Conversely, in class Hy, the electronic states

• molecule centers there, and the methyl groups point sideways. The DOS of class Ox structures feature hybridization of the electronic states and the electron transfer from the molecule to the substrate is significantly larger than in class Hy structures, with the largest contribution per atom from O. This

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• broadening of the molecular orbitals due to a strong hybridization with the Ir 5d and 6s states. In contrast, this hybridization is absent for the 1BL and 2BL CoO system. On 1BL CoO there is a strong hybridization of the molecular Co d orbitals with the states of the substrate. Consequently, significant

• hybridization of the Co center atom with the substrate. The remaining deviations between the N and C PDOS of 1 adsorbed on 1BL or 2BL CoO and that of the free molecule are difficult to interpret. They are surely a sign of weak hybridization with the CoO film, maybe in combination with an influence of the

• projected density of states of 1 on the bare metal and on the oxide layers demonstrate that also a high degree of electronic decoupling from the metal substrate is achieved at the cost of only weak hybridization with the oxide. The work therefore shows that the subtle interplay within the hierarchy of

Controlling the electronic and physical coupling on dielectric thin films

• Philipp Hurdax,
• Michael Hollerer,
• Larissa Egger,
• Georg Koller,
• Xiaosheng Yang,
• Anja Haags,
• Serguei Soubatch,
• Frank Stefan Tautz,
• Mathias Richter,
• Alexander Gottwald,
• Peter Puschnig,
• Martin Sterrer and
• Michael G. Ramsey

Beilstein J. Nanotechnol. 2020, 11, 1492–1503, doi:10.3762/bjnano.11.132

• to 5A, 6P is geometrically more flexible, more specifically, it is nonplanar in the gas phase and has a relatively low electron affinity. On the pristine Ag(100) substrate, 6P simply physisorbs with no evidence of LUMO hybridization, which remains unoccupied [21]. It will be shown that the

One-step synthesis of carbon-supported electrocatalysts

• Sebastian Tigges,
• Nicolas Wöhrl,
• Ivan Radev,
• Ulrich Hagemann,
• Markus Heidelmann,
• Thai Binh Nguyen,
• Stanislav Gorelkov,
• Stephan Schulz and
• Axel Lorke

Beilstein J. Nanotechnol. 2020, 11, 1419–1431, doi:10.3762/bjnano.11.126

• amorphous layer (Ar/H2 ≈59, Figure 4d, right panel). Raman spectroscopy was performed to determine the quality (defect density, defect type, and hybridization) of the deposited Pt/CNW layers. All samples produced at sufficiently high pressures and low carrier gas flow rates exhibit the typical spectrum

• indicates 100% sp²-hybridization [31]. No peaks are found for the Pt-NPs in the investigated wavenumber region, which is supported by a study of Kimata et al. [32]. A more detailed evaluation of the Raman data can be found in Supporting Information File 1. Controlling the physical properties of the active

• , hybridization, and chemical composition), one of them was used in the CV (samples are designated as CV1–CV3). The other one was weighed with the mass comparator five times for reproducibility and afterward wiped clean of any remaining catalyst layer and weighed again, as a mass comparator can only measure a

Effect of localized helium ion irradiation on the performance of synthetic monolayer MoS₂ field-effect transistors

• Jakub Jadwiszczak,
• Pierce Maguire,
• Conor P. Cullen,
• Georg S. Duesberg and
• Hongzhou Zhang

Beilstein J. Nanotechnol. 2020, 11, 1329–1335, doi:10.3762/bjnano.11.117

• metal deposition increases the concentration of dangling bonds available for molecular hybridization when the contact metal is deposited [32]. As we are treating an already hybridized interface, we suspect that the formation of point defects therein, such as migrated interstitials and antisite defects

Gas sorption porosimetry for the evaluation of hard carbons as anodes for Li- and Na-ion batteries

• Yuko Matsukawa,
• Fabian Linsenmann,
• Maximilian A. Plass,
• George Hasegawa,
• Katsuro Hayashi and
• Tim-Patrick Fellinger

Beilstein J. Nanotechnol. 2020, 11, 1217–1229, doi:10.3762/bjnano.11.106

• , defective graphitic structure (Supporting Information File 1, Figure S4). The D-to-G intensity ratio is 0.98, while it is 1.12 and 1.29 for, respectively, RF-1000 and RF-1600 (Supporting Information File 1, Figure S5), all indicating highly disordered carbons having a large fraction of sp3 hybridization

Hybridization vs decoupling: influence of an h-BN interlayer on the physical properties of a lander-type molecule on Ni(111)

• Maximilian Schaal,
• Takumi Aihara,
• Marco Gruenewald,
• Felix Otto,
• Jari Domke,
• Roman Forker,
• Hiroyuki Yoshida and
• Torsten Fritz

Beilstein J. Nanotechnol. 2020, 11, 1168–1177, doi:10.3762/bjnano.11.101

• also indications in the literature for a significant hybridization, which results in a perturbation of the intrinsic molecular properties. In this work we study the electronic and optical properties as well as the lateral structure of tetraphenyldibenzoperiflanthene (DBP) on Ni(111) with and without an

• n-type contact for future molecular electronic devices. Keywords: buried interface; decoupling; hexagonal boron nitride; hybridization; tetraphenyldibenzoperiflanthene (DBP); two-dimensional materials; Introduction The interfaces between organic molecules and metal contacts play a crucial role in

• with the bands of the metal substrate, which results in changes of the intrinsic optical and electronic properties of the adsorbed molecule. This process is referred to as hybridization, which may be accompanied by the reduction of the HOMO–LUMO gap, the change of the energy-level alignment, and even

Scanning tunneling microscopy and spectroscopy of rubrene on clean and graphene-covered metal surfaces

• Karl Rothe,
• Alexander Mehler,
• Nicolas Néel and
• Jörg Kröger

Beilstein J. Nanotechnol. 2020, 11, 1157–1167, doi:10.3762/bjnano.11.100

• vibronic properties of C42H28 consistently reflect the progressive reduction of the molecule–substrate hybridization. Separate C42H28 clusters are observed on Pt(111) as well as broad molecular resonances. On Au(111) and graphene-covered Pt(111) compact molecular islands with similar unit cells of the

• monatomically thin buffer layers (BLs) on metal surfaces, i.e., as intermediate films that efficiently reduce the hybridization of an adsorbate with the metallic substrate. The minimization of the adsorbate–substrate coupling is motivated by the desire to preserve genuine properties of the free atom or molecule

• vibrations. In the work presented here, 5,6,11,12-tetraphenyltetracene (rubrene, C42H28, Figure 1) was adsorbed on different surfaces, namely Pt(111), Au(111), and graphene on Pt(111), in order to demonstrate a gradual reduction of the C42H28–surface hybridization. The choice of the molecule and substrate

Monolayers of MoS₂ on Ag(111) as decoupling layers for organic molecules: resolution of electronic and vibronic states of TCNQ

• Asieh Yousofnejad,
• Gaël Reecht,
• Nils Krane,
• Christian Lotze and
• Katharina J. Franke

Beilstein J. Nanotechnol. 2020, 11, 1062–1071, doi:10.3762/bjnano.11.91

• Asieh Yousofnejad Gael Reecht Nils Krane Christian Lotze Katharina J. Franke Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany 10.3762/bjnano.11.91 Abstract The electronic structure of molecules on metal surfaces is largely determined by hybridization and

• hybridization, charge transfer and screening [1][2][3][4]. These effects lead to a broadening and shift of the molecular resonances [5]. Often the molecular functionality is also lost due to these interactions [6]. However, addressing individual molecules in devices or by single-molecule spectroscopy as offered

• properties of MoS2 on a metal surface are not the same as those of a free-standing monolayer. Both theory and experiment have found considerable hybridization of electronic states at the interface [29]. As a consequence, the bandgap is narrowed. Instead of the predicted bandgap of 2.8 eV of the free-standing

Poly(1-vinylimidazole) polyplexes as novel therapeutic gene carriers for lung cancer therapy

• Gayathri Kandasamy,
• Elena N. Danilovtseva,
• Vadim V. Annenkov and
• Uma Maheswari Krishnan

Beilstein J. Nanotechnol. 2020, 11, 354–369, doi:10.3762/bjnano.11.26

• overnight at 45 °C, 60 rpm in the Genechip Hybridization Oven 645. The chip was washed and stained in the Fluidic Station FS450. The chip was then scanned using a Genechip Scanner 3000 7G. The data analysis to identify differentially regulated genes in the cells treated with polyplex when compared with