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

• is due to the structural disorder induced by the 2Ni dopants and the O vacancies. Furthermore, the analysis of the XANES signatures shows that the oxidation state of nickel atoms changes with the introduction of oxygen vacancies. Our study therefore shows a possibility to control the oxidation state

• vacancies introduces atomic disorder into the system, which may affect the oxidation state of the Ni dopant atoms. Also, XANES spectra features have been shown to be sensitive to the onset or presence of structural disorder in a crystalline structure [36][37]. Thus, we have performed calculations of the

• XANES K-edge of oxygen atoms in Ni-doped zirconia to determine the signatures of disorder introduced by the O vacancies. Also, by combining the XANES signatures with the projected density of states (PDOS), we are able to determine the oxidation state of Ni dopant atoms in zirconia. The XANES

Ultrafast signatures of magnetic inhomogeneity in Pd_1−xFe_x (x ≤ 0.08) epitaxial thin films

• Andrey V. Petrov,
• Sergey I. Nikitin,
• Lenar R. Tagirov,
• Amir I. Gumarov,
• Igor V. Yanilkin and
• Roman V. Yusupov

Beilstein J. Nanotechnol. 2022, 13, 836–844, doi:10.3762/bjnano.13.74

• domain structures of the films [36]. Smaller-scale fluctuations, due to intrinsic disorder in the alloy composition, still remain unexplored. Finding a way to achieve magnetic uniformity in Pd1−xFex down to the atomic scale is a challenge. One of the options is the selection of the concentration range of

Ethosomal (−)-epigallocatechin-3-gallate as a novel approach to enhance antioxidant, anti-collagenase and anti-elastase effects

• Çiğdem Yücel,
• Gökçe Şeker Karatoprak,
• Sena Yalçıntaş and
• Tuğba Eren Böncü

Beilstein J. Nanotechnol. 2022, 13, 491–502, doi:10.3762/bjnano.13.41

• , reduced dose frequency, avoidance of first pass metabolism by the liver, and it can be self-administered. It includes the concept of topical drug delivery aimed at treating a local dermatological disorder without the need to target the systemic circulation by using transdermal drug delivery for systemic

Tubular glassy carbon microneedles with fullerene-like tips for biomedical applications

• Sharali Malik and
• George E. Kostakis

Beilstein J. Nanotechnol. 2022, 13, 455–461, doi:10.3762/bjnano.13.38

• glassy carbon microneedles Figure 4 shows a typical Raman spectrum of the glassy carbon microneedles. The D-band is at 1352 cm−1, and the G-band is at 1589 cm−1. The D-band, the so-called defect band, originates from a hybridized vibrational mode associated with local defects and disorder. In this case

A chemiresistive sensor array based on polyaniline nanocomposites and machine learning classification

• Jiri Kroutil,
• Alexandr Laposa,
• Ali Ahmad,
• Jan Voves,
• Vojtech Povolny,
• Ladislav Klimsa,
• Marina Davydova and
• Miroslav Husak

Beilstein J. Nanotechnol. 2022, 13, 411–423, doi:10.3762/bjnano.13.34

• results in a widening of the depletion layers on p–n junctions and, thus, the resistance increases [18]. All these effects are reversible when the reducing gas is replaced by air. Beside these effects, nanostructures added into polyaniline increase the initial resistance due to larger disorder and

The effect of metal surface nanomorphology on the output performance of a TENG

• Yiru Wang,
• Xin Zhao,
• Yang Liu and
• Wenjun Zhou

Beilstein J. Nanotechnol. 2022, 13, 298–312, doi:10.3762/bjnano.13.25

• -renewable resources such as oil, coal, and natural gas. The consumption of fossil fuels, at the same time, causes many environmental problems. In this regard, looking for green renewable energies to replace fossil energies has become a future development trend. Especially the high degree of disorder that

The effect of cobalt on morphology, structure, and ORR activity of electrospun carbon fibre mats in aqueous alkaline environments

• Markus Gehring,
• Tobias Kutsch,
• Osmane Camara,
• Alexandre Merlen,
• Hermann Tempel,
• Hans Kungl and
• Rüdiger-A. Eichel

Beilstein J. Nanotechnol. 2021, 12, 1173–1186, doi:10.3762/bjnano.12.87

• for both samples without additives and samples containing cobalt. The development of a marked 2D peak at approximately 2680 cm−1 has been reported to result from the presence of turbostratic carbon as a type of disorder in graphite [39][40]. Fibres with cobalt display this peak increasingly with

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• either purposefully creating, or avoiding, varying degrees of disorder in a material. In the following, a range of applications based on these irradiation effects is described, starting with defect engineering studies at the lowest doses and then moving through higher-dose applications. The final

• the introduction of lattice defects has been demonstrated in a variety of nanoengineering applications. The generation of vacancies, preferential sputtering of one atomic species over another, and the introduction of increasing amounts of disorder leading to eventual amorphization of a crystalline

• ]. Various 2D transition metal dichalcogenides have also been the subject of conductivity-tuning studies in the HIM. For example, Fox et al. showed that site-selective helium ion irradiation, introducing point defects and local disorder, transformed targeted regions of a supported pristine few-layer MoS2

Nanoporous and nonporous conjugated donor–acceptor polymer semiconductors for photocatalytic hydrogen production

• Zhao-Qi Sheng,
• Yu-Qin Xing,
• Yan Chen,
• Guang Zhang,
• Shi-Yong Liu and
• Long Chen

Beilstein J. Nanotechnol. 2021, 12, 607–623, doi:10.3762/bjnano.12.50

• benzene rings gave rise to disorder and reduced crystallinity even further. As a result, the HER of P13 (0.42 μmol·h−1, 5 mg) was one order of magnitude lower than that of P14 (8.52 μmol·h−1, 5 mg) [53]. Cai et al. [54] reported a series of perylene diimide (PDI)-based n-type porous CPs (Figure 4). The

Properties of graphene deposited on GaN nanowires: influence of nanowire roughness, self-induced nanogating and defects

• Jakub Kierdaszuk,
• Piotr Kaźmierczak,
• Justyna Grzonka,
• Aleksandra Krajewska,
• Aleksandra Przewłoka,
• Wawrzyniec Kaszub,
• Zbigniew R. Zytkiewicz,
• Marta Sobanska,
• Maria Kamińska,
• Andrzej Wysmołek and
• Aneta Drabińska

Beilstein J. Nanotechnol. 2021, 12, 566–577, doi:10.3762/bjnano.12.47

• –Wales defects reduce bond length which results in compressive strain in graphene. On the other hand, a large number of vacancies may relax the strain in expanded graphene [27]. Additionally, disorder in graphene influences its carrier concentration. In the case of low density of defects, an increase of

• the disorder is correlated with an increase in the carrier concentration and the sign of charge carriers depends on the defect type [28][29][30]. For example, vacancies and nitrogen dopants in nitrilic and pyridinic positions introduce a p-type doping while nitrogen dopants in the graphitic position

• studied samples. A negative correlation of RDD’ and RGD is observed. Therefore, the dependency of RDD’ and RGD ratios on G and 2D band energy and FWHM were studied in detail in order to trace the interdependence between disorder parameters and carrier concentration or strain. No explicit correlations

Interface interaction of transition metal phthalocyanines with strontium titanate (100)

• Reimer Karstens,
• Thomas Chassé and
• Heiko Peisert

Beilstein J. Nanotechnol. 2021, 12, 485–496, doi:10.3762/bjnano.12.39

• from 0.8 to 0.9 eV for N 1s and C 1s, respectively. Such a broadening might be ascribed to adsorption at inequivalent adsorption sites or other kinds of disorder, which may result in a statistical distribution of orbital energies [59]. Also visible is a shift of the monolayer N 1s and C 1s core level

Intracranial recording in patients with aphasia using nanomaterial-based flexible electronics: promises and challenges

• Qingchun Wang and
• Wai Ting Siok

Beilstein J. Nanotechnol. 2021, 12, 330–342, doi:10.3762/bjnano.12.27

• of aphasia worldwide is expected to increase in the coming decades. Since individuals with aphasia differ greatly in the severity, pattern, and associated lesions of their disorder, it is important to determine the precise location of the lesions and to map the affected brain circuits related to the

The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

• Yuri Ya. Gafner,
• Svetlana L. Gafner,
• Darya A. Ryzkova and
• Andrey V. Nomoev

Beilstein J. Nanotechnol. 2021, 12, 72–81, doi:10.3762/bjnano.12.6

• heating of Cu3Au nanoclusters, typical changes called “order–disorder transition” occur in the nanocluster structure, leading to the decomposition of the initial L12 crystal structure. This leads to a transition to the FCC structure with a random atomic distribution in the long-range coordination spheres

Absorption and photoconductivity spectra of amorphous multilayer structures

• Oxana Iaseniuc and
• Mihail Iovu

Beilstein J. Nanotechnol. 2020, 11, 1757–1763, doi:10.3762/bjnano.11.158

• thin films are of special interest. For thermally deposited amorphous films, the structure of which exhibits a higher level of disorder than that of the bulk glasses, the incorporation of impurity atoms is easier, and in many cases the metal additives could become electrically active. The influence of

Direct observation of the Si(110)-(16×2) surface reconstruction by atomic force microscopy

• Tatsuya Yamamoto,
• Ryo Izumi,
• Kazushi Miki,
• Takahiro Yamasaki,
• Yasuhiro Sugawara and
• Yan Jun Li

Beilstein J. Nanotechnol. 2020, 11, 1750–1756, doi:10.3762/bjnano.11.157

• characteristic structures were observed in flat and step areas. In the flat area, the 16×2 reconstruction area (solid square) and the disorder area (dotted square) were mixed. The 16×2 reconstruction is known to have chirality with zigzag chains extending in the direction of or [13][21]. In this AFM image, zig

• pentagons actually consisted of five atoms. A non-pentagonal structure in the 16×2 reconstruction and the disorder region were observed with high resolution, and the defect structure of the pentagon due to the lack of a P3 atom in the structure of pentagon was observed. We also observed the atoms of U-S4, U

• its structure model. AFM image (100 × 80 nm2) of the 16×2 reconstruction on Si(110). Solid and dotted rectangles represent the 16×2 reconstruction and disorder regions, respectively. The solid arrow indicates the step in direction. The dashed arrows indicate the (17 15 1) and (15 17 1) facets in the

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

Fabrication of nano/microstructures for SERS substrates using an electrochemical method

• Jingran Zhang,
• Tianqi Jia,
• Xiaoping Li,
• Junjie Yang,
• Zhengkai Li,
• Guangfeng Shi,
• Xinming Zhang and
• Zuobin Wang

Beilstein J. Nanotechnol. 2020, 11, 1568–1576, doi:10.3762/bjnano.11.139

• activation of the innate immune system [51]. However, excess lysozyme activity can increase the incidence of some diseases. In certain kinds of cancer, such as leukemia [52], excessive production of lysozyme is toxic and can induce organ disorder. Figure 7 shows the SERS spectra of lysozyme (10−6 mol·L−1 and

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

• from Ni(111) due to the beginning adsorption already in the second (or higher) layer(s). Further, the somewhat larger peak widths, as compared to the spectra of DBP on mica [25], might be an inhomogeneous broadening effect caused by a higher degree of rotational disorder in the DBP film on Ni(111

• configurations (chemical environments) due to disorder and the strong hybridization. We also observed a slight binding-energy shift of the N 1s and B 1s levels after the DBP adsorption, which shows that the DBP molecules also slightly influence the properties of the h-BN interlayer. Furthermore, a small new

A new photodetector structure based on graphene nanomeshes: an ab initio study

• Babak Sakkaki,
• Hassan Rasooli Saghai,
• Ghafar Darvish and
• Mehdi Khatir

Beilstein J. Nanotechnol. 2020, 11, 1036–1044, doi:10.3762/bjnano.11.88

• , preparing holes with the exact planned atomic structure is very challenging due to effect of atomic edge disorder within the holes. Nguyen et al. [31] showed that the edge disorder in GNMs could entirely alter the electronic properties. To model the disorder, they removed the carbon atoms in the edge of

• holes with a uniform probability. Their results show that the effect of atomic edge disorder can be considerably reduced by means of proper structure design. Efforts have been made to accurately build such structures. The formation of bandgaps in these materials is likely to affect their optical

Gas-sensing features of nanostructured tellurium thin films

• Dumitru Tsiulyanu

Beilstein J. Nanotechnol. 2020, 11, 1010–1018, doi:10.3762/bjnano.11.85

• were interpreted in terms of an increase in disorder (amorphization), leading to an increase in the surface chemical activity of chalcogenides, as well as an increase in the active surface area due to substrate porosity. Keywords: gas-sensing properties; NO2; tellurium thin films; nanocrystalline

• increase in the chemical activity of chalcogenides at the surface when disorder (amorphization) increases [32][33] and to the increase in the active area caused by substrate porosity. Another interesting feature observed in the experiments was the spontaneous reduction (or sometimes increase) in the gas

Soybean-derived blue photoluminescent carbon dots

• Shanshan Wang,
• Wei Sun,
• Dong-sheng Yang and
• Fuqian Yang

Beilstein J. Nanotechnol. 2020, 11, 606–619, doi:10.3762/bjnano.11.48

• likely attributed to the fluctuations of the bandgap associated with the functional groups and the disorder of crystallinity introduced by the LAL processing. According to Yu et al. [42], the emission peak of CDs can be fitted with a two-Gaussian function, associated with the “core” state and “surface

An advanced structural characterization of templated meso-macroporous carbon monoliths by small- and wide-angle scattering techniques

• Felix M. Badaczewski,
• Marc O. Loeh,
• Torben Pfaff,
• Dirk Wallacher,
• Daniel Clemens and
• Bernd M. Smarsly

Beilstein J. Nanotechnol. 2020, 11, 310–322, doi:10.3762/bjnano.11.23

• physisorption was applied, using deuterated p-xylene (DPX) as a contrast-matching agent in the neutron scattering process. The impact of the carbon precursor on the structural order on an atomic scale in terms of size and disorder of the carbon microstructure, on the nanopore structure, and on the template

• disorder in the material. That is, with increasing disorder of a material a higher micropore volume is expected. Because with higher carbonization temperature the graphene sheets as well as their stacking become more ordered, the meso/microporosity is expected to depend on the heat treatment temperature

• . The degree of disorder in the graphene stacks can be determined by evaluating wide-angle X-ray (WAXS) and neutron (WANS) scattering data of turbostratic carbon materials. Several current evaluation methods for WAXS and WANS are based on the fitting of entire WAXS/WANS data sets using suitable

Air oxidation of sulfur mustard gas simulants using a pyrene-based metal–organic framework photocatalyst

• Ghada Ayoub,
• Mihails Arhangelskis,
• Xuan Zhang,
• Florencia Son,
• Timur Islamoglu,
• Tomislav Friščić and
• Omar K. Farha

Beilstein J. Nanotechnol. 2019, 10, 2422–2427, doi:10.3762/bjnano.10.232

• linker, pyrene-2,7-dicarboxylic acid and b) Zr6 metal node. c) Fragment of the crystal structure of NU-400, established from PXRD data. Hydrogen atoms and disorder of pyrene groups are not shown for clarity. Zr: green, O: red, and C: grey. Conversion of CEES to CEESO under different conditions: (a

Green and scalable synthesis of nanocrystalline kuramite

• Andrea Giaccherini,
• Giuseppe Cucinotta,
• Stefano Martinuzzi,
• Enrico Berretti,
• Werner Oberhauser,
• Alessandro Lavacchi,
• Giovanni Orazio Lepore,
• Giordano Montegrossi,
• Maurizio Romanelli,
• Antonio De Luca,
• Massimo Innocenti,
• Vanni Moggi Cecchi,
• Matteo Mannini,
• Antonella Buccianti and
• Francesco Di Benedetto

Beilstein J. Nanotechnol. 2019, 10, 2073–2083, doi:10.3762/bjnano.10.202

• space. This residual could be fitted in samples S1 and S3 as a mixed Cu/Sn II shell with Cu and Sn atoms at ≈3.82(2) Å and 4.01(2) Å, respectively. These results are in agreement with Sn in a CTS structure with a high degree of disorder between Cu and Sn. Discussion The morphological analysis showed

• –S first shell distances compatible with a CTS structure. The Raman spectra of the samples show the presence of two wide peaks ascribed to tetragonal Cu3SnS4. Hence, we can exclude that the short- and long-range disorder reckoned by both EXAFS and XRD lead to the increasing symmetry with respect to

The influence of porosity on nanoparticle formation in hierarchical aluminophosphates

• Matthew E. Potter,
• Lauren N. Riley,
• Alice E. Oakley,
• Panashe M. Mhembere,
• June Callison and
• Robert Raja

Beilstein J. Nanotechnol. 2019, 10, 1952–1957, doi:10.3762/bjnano.10.191

• to modify the crystallisation rate, which allows mesopores to form. In doing so, it also increases the disorder in the system, leading to agglomeration and different crystalline phases. Overall, we concluded that bare HP-SAPO-5 and MP-SAPO-5 systems were successfully synthesised. They were then used