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

Using gold nanoparticles to detect single-nucleotide polymorphisms: toward liquid biopsy

• María Sanromán Iglesias and
• Marek Grzelczak

Beilstein J. Nanotechnol. 2020, 11, 263–284, doi:10.3762/bjnano.11.20

• -art of advanced techniques in the field of genomics such as digital PCR, next generation sequencing (NGS), fluorescence in situ hybridization (FISH) and BEAMing. These facilitate the fast design of mutational profiles of tumor DNA, helping the prioritization of anti-cancer therapy. Although these

• -specific hybridization (mutation-dependent hybridization of short nucleotides with variable target DNA), (2) primer extension (DNA polymerase-based incorporation of specific desoxyribonucleotides complementary to the DNA template, (3) allele-specific ligation (ligase-based covalent linking of two

• oligonucleotides upon hybridization on a DNA template), and (4) invasive cleavage (nuclease-based cleavage of the 3D structure formed when two overlapping oligonucleotides hybridize perfectly to a target DNA). The genotyping method should meet several requirements, namely, facile development from sequence

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

• outcome owing to sequence specificity [31][32]. The DNA hybridization through WC base pairing (A=T and G≡C) effectively facilitates the programmability of the molecular self-assembly of DNA. In a standard WC base pairing-driven assembly, two complementary DNA strands anneal together to form a duplex

• structure. In a DNA hybridization process, the oligonucleotides with complementary base sequences are dissolved in a buffer solution and subjected to annealing, which involves a cycle of heating the solution followed by cooling [31]. Seeman and co-workers envisioned the construction of 3D nanoarchitectures

• by utilizing DNA as a structural building block and hybridization (base pairing) as the ‘glue’ [33][34]. The initial attempts with ssDNA were compromised due to the lack of rigidity within ssDNA molecular systems. However, the higher-order double-stranded DNA systems exhibited higher rigidity as

Long-term stability and scale-up of noncovalently bound gold nanoparticle-siRNA suspensions

• Anna V. Epanchintseva,
• Julia E. Poletaeva,
• Dmitrii V. Pyshnyi,
• Elena I. Ryabchikova and
• Inna A. Pyshnaya

Beilstein J. Nanotechnol. 2019, 10, 2568–2578, doi:10.3762/bjnano.10.248

• duplex; (2) hybridization of the second chain with the first one. It should be noted that the efficiency of hybridization of the second chain with the first chain already covalently attached to the AuNP is not complete, it is about 50% [13]. The density of siRNA covalently attached to the AuNP surface

Giant magnetoresistance ratio in a current-perpendicular-to-plane spin valve based on an inverse Heusler alloy Ti₂NiAl

• Yu Feng,
• Zhou Cui,
• Bo Wu,
• Jianwei Li,
• Hongkuan Yuan and
• Hong Chen

Beilstein J. Nanotechnol. 2019, 10, 1658–1665, doi:10.3762/bjnano.10.161

• become lower in TiNiB-terminated structures (see Figure 2d). This reveals that, for an interface containing Ti and Ni atoms, the hybridization between interfacial Ti and Ni atoms in the TiNiB-terminated structure is stronger than those in the TiNiT-terminated structure. The total interfacial magnetic

• the interatomic distances. Because the Al atom is a typical conduction sp-electron atom, it can continually exchange with local d-electrons of the nearest transition metal and serves as a bridge in hybridization between local d-electrons atoms. Hence, the atomic magnetic moment of the Al atom always

Graphynes: an alternative lightweight solution for shock protection

• Kang Xia,
• Haifei Zhan,
• Aimin Ji,
• Jianli Shao,
• Yuantong Gu and
• Zhiyong Li

Beilstein J. Nanotechnol. 2019, 10, 1588–1595, doi:10.3762/bjnano.10.154

• : graphyne; in silico studies; stress wave propagation; supersonic-velocity impact; Introduction Owing to its versatile flexibility, carbon is able to form three different hybridization states namely sp, sp2 and sp3, which yields many kinds of carbon allotropes. Graphite and diamond are the two common

Construction of a 0D/1D composite based on Au nanoparticles/CuBi₂O₄ microrods for efficient visible-light-driven photocatalytic activity

• Weilong Shi,
• Mingyang Li,
• Hongji Ren,
• Feng Guo,
• Xiliu Huang,
• Yu Shi and
• Yubin Tang

Beilstein J. Nanotechnol. 2019, 10, 1360–1367, doi:10.3762/bjnano.10.134

• novel visible-light-driven photocatalysts. Due to the valence-band hybridization of O 2p and Bi 6s, the bismuth-based photocatalysts possess a relatively narrow bandgap. Moreover, benefiting from the filled Bi 6s band of Bi3+ or the empty 6s band of Bi5+, Bi-containing compounds strongly absorb visible

Molecular attachment to a microscope tip: inelastic tunneling, Kondo screening, and thermopower

• Rouzhaji Tuerhong,
• Mauro Boero and
• Jean-Pierre Bucher

Beilstein J. Nanotechnol. 2019, 10, 1243–1250, doi:10.3762/bjnano.10.124

• surface are chemically identical (see Experimental section), the MnPc molecule attached to the tip is subjected to a different electronic-state hybridization than an on-surface molecule, and hence a different Kondo behavior is expected. In this respect, the analysis of the fitting parameters of the Fano

Pure and mixed ordered monolayers of tetracyano-2,6-naphthoquinodimethane and hexathiapentacene on the Ag(100) surface

• Robert Harbers,
• Timo Heepenstrick,
• Dmitrii F. Perepichka and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2019, 10, 1188–1199, doi:10.3762/bjnano.10.118

• [17]. However, in the case of HTPEN/TNAP on the Ag(100) surface studied here, the electron transfer (or partial charge transfer) could still occur due to the Coulomb interactions of the resulting molecular ions and due to the hybridization of molecular states with those of the metallic Ag surface

Photoactive nanoarchitectures based on clays incorporating TiO₂ and ZnO nanoparticles

• Eduardo Ruiz-Hitzky,
• Pilar Aranda,
• Marwa Akkari,
• Nithima Khaorapapong and
• Makoto Ogawa

Beilstein J. Nanotechnol. 2019, 10, 1140–1156, doi:10.3762/bjnano.10.114

• than bare ZnO. This was attributed to the dissolution of ZnO in acidic solution, which is suppressed by the hybridization with smectites [46][92][93]. CTA-smectites treated with a hydrothermal solution intercalation method at 70 °C for 10 h lead to ZnO@CTA-montmorillonite where the ZnO NPs are either

Synthesis of novel C-doped g-C₃N₄ nanosheets coupled with CdIn₂S₄ for enhanced photocatalytic hydrogen evolution

• Jingshuai Chen,
• Chang-Jie Mao,
• Helin Niu and
• Ji-Ming Song

Beilstein J. Nanotechnol. 2019, 10, 912–921, doi:10.3762/bjnano.10.92

• ]. In addition, hierarchical CdIn2S4/graphene nano-heterostructures have been fabricated as efficient photocatalysts for solar H2 evolution [33]. In this study, synergy can be obtained by combining the two strategies, self-doped C-atom g-C3N4 (CCN) and hybridization with another semiconductor, to

Electronic properties of several two dimensional halides from ab initio calculations

• Mohamed Barhoumi,
• Ali Abboud,
• Lamjed Debbichi,
• Moncef Said,
• Torbjörn Björkman,
• Dario Rocca and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2019, 10, 823–832, doi:10.3762/bjnano.10.82

• the bottom of the conduction bands is a hybridization between the Cr (La, Ga or In) and the O atoms. We have performed a similar study in the case of the iodide monolayers. The corresponding DOSs and PDOSs of BiOI, LaOI, ScOI, and YOI are shown in Figure 6. For all the systems, we found that the

Topochemical engineering of composite hybrid fibers using layered double hydroxides and abietic acid

• Liji Sobhana,
• Lokesh Kesavan,
• Jan Gustafsson and
• Pedro Fardim

Beilstein J. Nanotechnol. 2019, 10, 589–605, doi:10.3762/bjnano.10.60

• -F, HF, and C-HF. Regarding a possible increased tensile strength, the treatments (LDH hybridization and AA modification) have positive effects only on unrefined fibers of bleached and unbleached pulp (C-HF of BKP, UBKP). The interaction with refined fibers of bleached and unbleached pulp (C-HF of

• : abietic acid). FTIR spectra of pulp fibers (filled circles: fibers, asterisks: LDH, filled diamonds: abietic acid). SEM images showing the hybridization of LDH particles on the fiber surfaces of (a) BKP, (b) BKPR, (c) UBKP and (d) UBKPR. SEM images of the BKP fibers: (a) REF (b) C-F (c) HF (d) C-HF (0.15

Quantification and coupling of the electromagnetic and chemical contributions in surface-enhanced Raman scattering

• Yarong Su,
• Yuanzhen Shi,
• Ping Wang,
• Jinglei Du,
• Markus B. Raschke and
• Lin Pang

Beilstein J. Nanotechnol. 2019, 10, 549–556, doi:10.3762/bjnano.10.56

• plasmon resonances of the nanostructured metal surface when excited by incident light. The generally weaker chemical enhancement mechanism (CE) is thought to be associated with electronic interactions such as charge redistribution, hybridization, or other interactions between molecular adsorbate and the