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

• further understanding of the electronic properties of the steps, we performed CPD measurements in an area with a sufficiently long step. The topographic image obtained in the lift-mode and average height profiles are shown, respectively, in Figure 3a and Figure 3b. The topographic image shows that both

Green fabrication of lanthanide-doped hydroxide-based phosphors: Y(OH)₃:Eu³⁺ nanoparticles for white light generation

• Tugrul Guner,
• Anilcan Kus,
• Mehmet Ozcan,
• Aziz Genc,
• Hasan Sahin and
• Mustafa M. Demir

Beilstein J. Nanotechnol. 2019, 10, 1200–1210, doi:10.3762/bjnano.10.119

• electronic properties of Y(OH)3 crystals, density functional theory-based calculations were also performed using the projector augmented wave (PAW) potentials as implemented in the Vienna ab initio simulation package (VASP) [44][45][46][47]. For the exchange-correlation part of the functional, the

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

• compared to TiO2, particularly in acidic solution, which can be a drawback for practical applications [46][47]. By changing morphology, doping, and conformation, i.e. as films, of the nanoparticles the intrinsic opto-electronic properties of the semiconductor as well as its chemical stability and surface

Electronic and magnetic properties of doped black phosphorene with concentration dependence

• Ke Wang,
• Hai Wang,
• Min Zhang,
• Yan Liu and
• Wei Zhao

Beilstein J. Nanotechnol. 2019, 10, 993–1001, doi:10.3762/bjnano.10.100

• alternative method to tune the magnetism and electronic structure of black phosphorene, which might be beneficial for its application in future spintronic devices. Keywords: doped black phosphorene; electronic properties; first principles; magnetic properties; Introduction The successful preparation of

• received enormous attention [3][4]. While the electronic properties of TMDs range from metallic (such as NbS2) [5] to semiconducting (such as WS2) [6], the low carrier mobility limits the application of these materials. Recently, black phosphorene has attracted research interest owing to its direct bandgap

• was 2 × 2 × 1 and the impurity concentration was 6.25%. They observed that all doped phosphorenes were stable, with Ca-, Ge-, and Se-doped phosphorene exhibiting metallic states. Obviously, the magnetic and electronic properties of doped phosphorene can be tuned by changing the dopant element. 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

• , 84.09 and 84.14 eV for the F54%, F72%, and F90% fractions, respectively. This kind of shift in binding energy is very common for very small gold particles due to reduced core-hole screening in small metal particles. This indicates that there are significant differences in the electronic properties of

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

• Technology (KAIST), Yuseong-gu, Daejeon 305-701, Korea Physics/Department of Natural Sciences, Åbo Akademi University, Porthansgatan 3, 20500 Turku, Finland 10.3762/bjnano.10.82 Abstract Using density functional theory, we study the electronic properties of several halide monolayers. We show that their

• theory; electronic properties; halide monolayers; Introduction The discovery of graphene [1] by exfoliation [2] opened a new era in several domains of science. Graphene has attracted great attention due to its unique properties [3] and because it offers many advantages in comparison with more common

• performing phonon calculations. These studies were conducted on bulk materials but little is known on the structural and electronic properties of the corresponding isolated layers. By using a datamining procedure some halides were identified as possible 2D materials [14] but their dynamical stability and

Renewable energy conversion using nano- and microstructured materials

• Harry Mönig and
• Martina Schmid

Beilstein J. Nanotechnol. 2019, 10, 771–773, doi:10.3762/bjnano.10.76

• however be desired as the example of Co3O4 photocathodes in [7] shows. In general, the nanostructure of any material will strongly affect the corresponding optical and electronic properties by controlling the surface-to-volume ratio and the related morphological characteristics. Besides the concepts for

Self-assembly and wetting properties of gold nanorod–CTAB molecules on HOPG

• Imtiaz Ahmad,
• Floor Derkink,
• Tim Boulogne,
• Pantelis Bampoulis,
• Harold J. W. Zandvliet,
• Hidayat Ullah Khan,
• Rahim Jan and
• E. Stefan Kooij

Beilstein J. Nanotechnol. 2019, 10, 696–705, doi:10.3762/bjnano.10.69

• . Although these materials show significant optical and electronic properties [1][2][3], the structural correlation between the deposited nanomaterial and where they are deposited on the surface is also of fundamental importance [4][5][6][7]. Additionally, owing to its simplicity, versatility and low cost

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

• onto Au-decorated CNTs [28], in order to enhance the properties required to detect toxic gases. Additionally, the electronic properties of single-wall CNTs heavily depend on chirality, and the conduction properties of single-wall CNT films on top of interdigitated electrodes change dramatically

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO₂ conversion

• Qianyi Cui,
• Gangqiang Qin,
• Weihua Wang,
• Lixiang Sun,
• Aijun Du and
• Qiao Sun

Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55

• . Meanwhile, the CO2 angle is also determined by the strength of the interaction of CO2 with different TMs that anchor on the BN monolayer. The configuration of captured CO2 is significantly distorted by strong chemisorption as illustrated in Figure 1a–c. Regarding the electronic properties, physisorption of

Size limits of magnetic-domain engineering in continuous in-plane exchange-bias prototype films

• Alexander Gaul,
• Daniel Emmrich,
• Timo Ueltzhöffer,
• Henning Huckfeldt,
• Hatice Doğanay,
• Johanna Hackl,
• Muhammad Imtiaz Khan,
• Daniel M. Gottlob,
• Gregor Hartmann,
• André Beyer,
• Dennis Holzinger,
• Slavomír Nemšák,
• Claus M. Schneider,
• Armin Gölzhäuser,
• Günter Reiss and
• Arno Ehresmann

Beilstein J. Nanotechnol. 2018, 9, 2968–2979, doi:10.3762/bjnano.9.276

• Institute “Electronic Properties”, Forschungszentrum Jülich, 52425 Jülich, Germany Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, USA Faculty of Physics, Thin Films and Physics of Nanostructures, University of Bielefeld, 33501 Bielefeld, Germany 10.3762/bjnano.9.276 Abstract

Nanostructure-induced performance degradation of WO₃·nH₂O for energy conversion and storage devices

• Zhenyin Hai,
• Mohammad Karbalaei Akbari,
• Zihan Wei,
• Danfeng Cui,
• Chenyang Xue,
• Hongyan Xu,
• Philippe M. Heynderickx,
• Francis Verpoort and
• Serge Zhuiykov

Beilstein J. Nanotechnol. 2018, 9, 2845–2854, doi:10.3762/bjnano.9.265

• in a faster performance degradation, due to its weak interlayer van der Waals forces, even though it outranks the 3D network structure in terms of improved electronic properties. The structural transformation of 2D layered WO3·nH2O into 3D nanostructures is observed via ex situ Raman measurements

• counterparts in terms of the improved electronic properties, they can easily generate the structural instability by 2D intercalation owing to its weak interlayer van der Waals interactions. Their morphology change confirms the degradation mechanism proposed in this work. Consequently, this work provides in

Accurate control of the covalent functionalization of single-walled carbon nanotubes for the electro-enzymatically controlled oxidation of biomolecules

• Naoual Allali,
• Veronika Urbanova,
• Mathieu Etienne,
• Xavier Devaux,
• Martine Mallet,
• Brigitte Vigolo,
• Jean-Joseph Adjizian,
• Chris P. Ewels,
• Sven Oberg,
• Alexander V. Soldatov,
• Edward McRae,
• Yves Fort,
• Manuel Dossot and
• Victor Mamane

Beilstein J. Nanotechnol. 2018, 9, 2750–2762, doi:10.3762/bjnano.9.257

• sidewalls. In the literature, this is often done by heating under reflux the CNT sample in a strong acidic medium for several hours or days. Doing so, many oxidized functions are introduced but the nanotubes are also cut and shortened. Since we intended to retain the essential electronic properties of the

• essentially preserved. This is a very interesting observation since it validates our global approach of using microwave irradiation rather than more conventional thermal routes. Retaining the structural integrity of CNTs (and therefore their electronic properties) is essential in our case to obtain a good

Silicene, germanene and other group IV 2D materials

• Patrick Vogt

Beilstein J. Nanotechnol. 2018, 9, 2665–2667, doi:10.3762/bjnano.9.248

• layered parent crystals from which single layers can be exfoliated. From this it follows that these materials have to be synthesized either chemically or by epitaxial growth on a supporting substrate. Thus, it should be considered that the substrate could influence the structural and electronic properties

Impact of the anodization time on the photocatalytic activity of TiO₂ nanotubes

• Jesús A. Díaz-Real,
• Geyla C. Dubed-Bandomo,
• Juan Galindo-de-la-Rosa,
• Luis G. Arriaga,
• Janet Ledesma-García and
• Nicolas Alonso-Vante

Beilstein J. Nanotechnol. 2018, 9, 2628–2643, doi:10.3762/bjnano.9.244

• length, fluorine content, and capacitance of the space charge region increased, affecting the opto-electronic properties (bandgap, bathochromic shift, band-edge position) and surface hydrophilicity of TiO2 NTs. These properties are at the origin of the photocatalytic activity (PCA), as proved with the

• importantly, it has been recognized that several parameters of the anodization, such as electric field strength, water content in the electrolyte, concentration of fluorine ions and pH value, have a direct influence on the electronic properties of the TNTs [20]. Nevertheless, the modification procedures for

• the as-prepared TiO2 materials usually report the use of wet-chemical routes, ion implantation, and calcination under reducing atmospheres, among others approaches [4][24][25]. However, some of these methods have shown detrimental effects on the opto-electronic properties of TiO2. Su et al. [26

Intrinsic ultrasmall nanoscale silicon turns n-/p-type with SiO₂/Si₃N₄-coating

• Dirk König,
• Daniel Hiller,
• Noël Wilck,
• Birger Berghoff,
• Merlin Müller,
• Sangeeta Thakur,
• Giovanni Di Santo,
• Luca Petaccia,
• Joachim Mayer,
• Sean Smith and
• Joachim Knoch

Beilstein J. Nanotechnol. 2018, 9, 2255–2264, doi:10.3762/bjnano.9.210

• of Si nanowires relevant to devices As we will show below, a Si-NWire with a combined SiO2-/Si3N4-coating can work as a highly scalable, high-performance and dopant-free metal-insulator-silicon (MIS) FET device. Using the same h-DFT methods as above, we computed the electronic properties of a Si233

• severely deteriorated device performance. Our simulations underline the great importance of alternatives to conventional doping for increased performance of future ULSI transistors. Conclusion We demonstrated quantitatively in theory and experiment that the intrinsic electronic properties of usn-Si can

• File 1. Electronic properties obtained by h-DFT for Si233(NH2)87(OH)81 NWire of 1.4 nm diameter and 5.2 nm length, terminated with NH2 on its left half emulating Si3N4-embedding and with OH on its right half emulating SiO2-embedding: (a) DOS over energy relative to vacuum level Evac. Red (blue) lines

A scanning probe microscopy study of nanostructured TiO₂/poly(3-hexylthiophene) hybrid heterojunctions for photovoltaic applications

• Laurie Letertre,
• Roland Roche,
• Olivier Douhéret,
• Hailu G. Kassa,
• Denis Mariolle,
• Nicolas Chevalier,
• Łukasz Borowik,
• Philippe Dumas,
• Benjamin Grévin,
• Roberto Lazzaroni and
• Philippe Leclère

Beilstein J. Nanotechnol. 2018, 9, 2087–2096, doi:10.3762/bjnano.9.197

• , its high hole mobility and its donor-like electronic properties [15]. Upon light absorption by the polymer, excitons are generated and they can be dissociated at the interface with TiO2, the polymer also acting as the hole-transporting layer. In this work, we investigated nanostructured TiO2 layers

• tremendously the Vcpd contrast. Thus, the observed Vcpd contrast most probably originates therefore from local variations in the electronic properties of the surface, such as a possibly different free electron density at the top and at the side of the columns. This explanation is further supported by the PC

• columns might originate from a locally lower initial (i.e., prior to illumination) electron density at the TiO2 surface. Among various possible factors, this variation of electron density might be due to the presence of different TiO2 crystal facets, as the latter are shown to influence the electronic

A variable probe pitch micro-Hall effect method

• Maria-Louise Witthøft,
• Frederik W. Østerberg,
• Janusz Bogdanowicz,
• Rong Lin,
• Henrik H. Henrichsen,
• Ole Hansen and
• Dirch H. Petersen

Beilstein J. Nanotechnol. 2018, 9, 2032–2039, doi:10.3762/bjnano.9.192

• , Kapeldreef 75, B-3001 Leuven, Belgium 10.3762/bjnano.9.192 Abstract Hall effect metrology is important for a detailed characterization of the electronic properties of new materials for nanoscale electronics. The micro-Hall effect (MHE) method, based on micro four-point probes, enables a fast

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

• mechanism of nitrogen-doped carbon nanostructures is still under intense debate. In this review, we link the fundamental electronic properties to the catalytic performance from a photoelectron spectroscopy point of view. We focus on the discussion of the inherent ORR activity of nitrogen-doped graphene and

• characteristics in structure and properties, such as high aspect ratio, good mechanical properties and extraordinary electronic properties. The one atom thick two-dimensional planar structure of a graphene sheet makes it superior to CNTs for certain applications because it facilitates the electron transport [22

• graphene and carbon nanotubes. Among the strategies adopted to dope graphene, heteroatom doping is a promising way to improve its reactivity by introducing active sites that facilitate the interaction with foreign gases already at room temperature [29]. Heteroatoms change the electronic properties of

Defect formation in multiwalled carbon nanotubes under low-energy He and Ne ion irradiation

• Santhana Eswara,
• Jean-Nicolas Audinot,
• Brahime El Adib,
• Maël Guennou,
• Tom Wirtz and
• Patrick Philipp

Beilstein J. Nanotechnol. 2018, 9, 1951–1963, doi:10.3762/bjnano.9.186

• , ion irradiation can also be used to modify the electronic properties. The presence of defects can increase the resistivity by several orders of magnitude [2][16]. When combining low-fluence ion irradiation with subsequent annealing, the electrical conductivity of SWCNTs can be improved [17]. The

Improving the catalytic activity for hydrogen evolution of monolayered SnSe_2(1−x)S_2x by mechanical strain

• Sha Dong and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2018, 9, 1820–1827, doi:10.3762/bjnano.9.173

• non-noble metals and earth-abundant elements is a promising pathway for achieving practical electrochemical water splitting. In this work, the electronic properties and catalytic activity of monolayer SnSe2(1−x)S2x (x = 0–1) under compressive and tensile strain were investigated using density

• activity of the SnSe2(1-x)S2x monolayer. Keywords: density functional theory (DFT); electronic properties; hydrogen evolution reaction; mechanical strain; SnSe2(1−x)S2x monolayer; Introduction Hydrogen is a clean energy source with outstanding properties such as high specific energy per mass, easy

• ][33][34][35][36][37]. For example, Komsa et al. [34] have investigated the electronic properties of monolayer MoS2xSe2(1−x) and found that the bandgaps can be continuously tuned with the variation of Se composition. Liu et al. [38] have studied Mo1−xWxS2 and observed variations of the direct bandgap

Free-radical gases on two-dimensional transition-metal disulfides (XS₂, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors

• Chunmei Zhang,
• Yalong Jiao,
• Fengxian Ma,
• Sri Kasi Matta,
• Steven Bottle and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156

• observed after the adsorption of other free radical gases such as NO2. The unique change in electronic properties after the adsorption of NO on transition-metal sulfides highlights an effective strategy to distinguish NO from other gas species by experimentally measuring spin-resolved transmission. Our

• −201meV, respectively, for single-layer MoS2 and WS2 (Figure 1). An adsorption distance of approximately 3 Å suggests that NO and NO2 are physically adsorbed. After determining the most favorable adsorption positions, we calculated the electronic properties after the adsorption of NO and NO2. Both NO and

• gas concentrations to confirm that the predicted half-metallicity is indeed robust. Differences in electronic properties and orbital analysis between NO and NO2 adsorption show that half-metallicity is only observed when NO is adsorbed. Since single/multi-layer MoS2 FET sensors for NO have been

Predicting the strain-mediated topological phase transition in 3D cubic ThTaN₃

• Chunmei Zhang and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1399–1404, doi:10.3762/bjnano.9.132

• 1 eV, but its electronic properties remain largely unexplored. By using density functional theory, we find that the band gap of ThTaN3 is very sensitive to the hydrostatic pressure/strain. A Dirac cone can emerge around the Γ point with an ultrahigh Fermi velocity at a compressive strain of 8

• nonlinear optical response [2] due to its large band gap and non-centrosymmetry. As protons are found to be significantly stable in nitrides, c-PV ThTaN3 is also evaluated as an ideal proton-conducting ceramic [1]. Nevertheless, theoretical understanding of the electronic properties of ThTaN3 is so far very

The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations

• Olga E. Glukhova and
• Dmitriy S. Shmygin

Beilstein J. Nanotechnol. 2018, 9, 1254–1262, doi:10.3762/bjnano.9.117

• (CNTs)/graphene. The electrical conductance of different models of this material was calculated in two mutually perpendicular directions. Regularities in resistance values were found. Keywords: carbon composites; electronic properties; interpolation; quantum transport; transmission function

Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications

• Sri Kasi Matta,
• Chunmei Zhang,
• Yalong Jiao,
• Anthony O'Mullane and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116

• 700 nm. It has been reported that exterior strain on semiconductor nanostructures, especially at the two-dimensional level, influences the electronic properties and the corresponding optical properties [37][38]. We, therefore, studied the PBE functional band gap variation as a function of tensile