Enhanced photocatalytic activity of Ag–ZnO hybrid plasmonic nanostructures prepared by a facile wet chemical method

• Sini Kuriakose,
• Vandana Choudhary,
• Biswarup Satpati and
• Satyabrata Mohapatra

Beilstein J. Nanotechnol. 2014, 5, 639–650, doi:10.3762/bjnano.5.75

• nanostructures, is dependent on the alignment of electronic band structure of the noble metal and semiconductor. Furthermore, irradiation with sun light leads to the excitation of MB dye molecules adsorbed onto the ZnO nanostructures. The photoexcited MB molecules transfer electrons into the conduction band of

Analytical development and optimization of a graphene–solution interface capacitance model

• Hediyeh Karimi,
• Rasoul Rahmani,
• Reza Mashayekhi,
• Leyla Ranjbari,
• Amir H. Shirdel,
• Niloofar Haghighian,
• Parisa Movahedi,
• Moein Hadiyan and
• Razali Ismail

Beilstein J. Nanotechnol. 2014, 5, 603–609, doi:10.3762/bjnano.5.71

• capacitance can be calculated as: The equation provides a quantitative description of the graphene quantum capacitance in terms of the Fermi velocity [31], carrier density, temperature and fundamental physical quantities. According to the relationship between energy band structure and the graphene potential

Interaction of iron phthalocyanine with the graphene/Ni(111) system

• Lorenzo Massimi,
• Simone Lisi,
• Daniela Pacilè,
• Carlo Mariani and
• Maria Grazia Betti

Beilstein J. Nanotechnol. 2014, 5, 308–312, doi:10.3762/bjnano.5.34

• Ir(111) represents two opposite sides of the graphene–metal interaction: a strong interaction with a strong modification of the free-standing graphene band structure is observed on Ni [11], while a low interaction with an almost unperturbed Dirac cone is present if graphene is grown on Ir [12][13

• direction. The UV radiation, HeIα (21.218 eV) and HeIIα (40.814 eV), was provided by a SCIENTA VUV-5050 monochromatic source. Results and Discussion The ARPES band structure of the Gr/Ni(111) and Gr/Ir(111) systems along the ΓK direction of the two-dimensional (2D) Brillouin Zone (BZ) is presented in Figure

• , which leads to a gap with a width of a few tens of meV [24]. The small size of the gap can be explained by the small difference among the two sublattices, due to the low interaction with the substrate. The band structure of the Gr/Ni(111) system appears to be dominated by the strong projected Ni d bands

Quantum size effects in TiO₂ thin films grown by atomic layer deposition

• Massimo Tallarida,
• Chittaranjan Das and
• Dieter Schmeisser

Beilstein J. Nanotechnol. 2014, 5, 77–82, doi:10.3762/bjnano.5.7

• calculations performed by Wu et al. [27] in the framework of the full multiple scattering theory and the tight-binding linear muffin-tin orbital band-structure method showed the presence of the higher energy tail only for large clusters, which is indicative of a long-range order. On the other hand, the

Many-body effects in semiconducting single-wall silicon nanotubes

• Wei Wei and
• Timo Jacob

Beilstein J. Nanotechnol. 2014, 5, 19–25, doi:10.3762/bjnano.5.2

• optical responses are characterized by resonant excitations [54]. Figure 2 shows the band structures of (4,4), (6,6) and (10,0) SiNTs, which indicate semiconducting character as band gaps appear. In case of armchair (4,4) SiNT, the band structure indicates an indirect band gap of 0.32 eV at Z point and a

Challenges in realizing ultraflat materials surfaces

• Takashi Yatsui,
• Wataru Nomura,
• Fabrice Stehlin,
• Olivier Soppera,
• Makoto Naruse and
• Motoichi Ohtsu

Beilstein J. Nanotechnol. 2013, 4, 875–885, doi:10.3762/bjnano.4.99

• particles and/or impurities in the slurry abrade the substrate. A recent increase in electron mobility was achieved by introducing Ge in an Si device [13]. The higher electron mobility was realized through the modification of the band structure by in-plane tensile strain due to the wider interatomic

Structural and thermoelectric properties of TMGa₃ (TM = Fe, Co) thin films

• Sebastian Schnurr,
• Ulf Wiedwald,
• Paul Ziemann,
• Valeriy Y. Verchenko and
• Andrei V. Shevelkov

Beilstein J. Nanotechnol. 2013, 4, 461–466, doi:10.3762/bjnano.4.54

• leading to metallic and non-magnetic properties for CoGa3. Thus, the composition of the solid solution x was found to be a tool to control the number of electronic states at the Fermi level N(EF) when the variation of N(EF) for different x was established from the results of band structure calculations

Synthesis and thermoelectric properties of Re₃As_6.6In_0.4 with Ir₃Ge₇ crystal structure

• Valeriy Y. Verchenko,
• Anton S. Vasiliev,
• Alexander A. Tsirlin,
• Vladimir A. Kulbachinskii,
• Vladimir G. Kytin and
• Andrei V. Shevelkov

Beilstein J. Nanotechnol. 2013, 4, 446–452, doi:10.3762/bjnano.4.52

• . Keywords: band-structure calculations; energy conversion; Ir3Ge7 type; solid solution; thermoelectric material; Introduction Thermoelectric materials with good efficiency are highly awaited by modern power engineering. Utilizing either the Seebeck or Peltier effects, it is possible to produce electricity

• adopt 55 e− per f.u. and should be semiconductors according to the band structure calculations. Their doped analogues, Mo3Sb5.4Te1.6 and Re3As6.4Ge0.6, display minor deviation from 55 e− per formula. They behave as heavily doped semiconductors and possess the ZT values of 0.8 at 1050 K and 0.3 at 700 K

• crystal structure. The indium for arsenic substitution occurs exclusively on the 12d site, thus keeping intact the As–As dumbbells with dAs–As = 2.538(5) Å. While Re3As7 shows a Pauli paramagnetic contribution to the magnetic susceptibility in line with the results of band-structure calculations, the S1

Micro- and nanoscale electrical characterization of large-area graphene transferred to functional substrates

• Gabriele Fisichella,
• Salvatore Di Franco,
• Patrick Fiorenza,
• Raffaella Lo Nigro,
• Fabrizio Roccaforte,
• Cristina Tudisco,
• Guido G. Condorelli,
• Nicolò Piluso,
• Noemi Spartà,
• Stella Lo Verso,
• Corrado Accardi,
• Cristina Tringali,
• Sebastiano Ravesi and
• Filippo Giannazzo

Beilstein J. Nanotechnol. 2013, 4, 234–242, doi:10.3762/bjnano.4.24

• is the single layer of graphite and can be described as a 2D crystal of sp2 hybridised carbon atoms in a honeycomb lattice [1]. Its electrical and optical characteristics are mainly related to the peculiar energy band structure, i.e., to the linear dispersion relation and to the zero band gap. For

Electronic and transport properties of kinked graphene

• Jesper Toft Rasmussen,
• Tue Gunst,
• Peter Bøggild,
• Antti-Pekka Jauho and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2013, 4, 103–110, doi:10.3762/bjnano.4.12

• barriers and periodic kink structures in order to examine resonant tunnelling phenomena and band gap formation. Two kinks Band-structure calculations show that periodic nanoscale rippling of the graphene is not sufficient to create a band gap [24] due to the low scattering by the elastic deformation [17

• (not shown). The close correspondence between the electronic band structure for the GNR and the transmission gap for the double-kink system allows us to consider the structure between two kinks as a pseudo-ribbon. For the semiconducting pseudo-ribbons transport gaps surrounded by van Hove-type 1D

• total transport for the four possible combinations of semiconducting (SC) and semimetallic (M), corresponding to the pseudo-ribbon widths N, N + 1 used in Figure 4. In order to analyse the transmission we single out the band structure projected on to the top section, S3 (excluding carbon and hydrogen

Nanostructure-directed chemical sensing: The IHSAB principle and the dynamics of acid/base-interface interaction

• James L. Gole and
• William Laminack

Beilstein J. Nanotechnol. 2013, 4, 20–31, doi:10.3762/bjnano.4.3

• oxinitrides [9][10], as it introduces basicity, also facilitates the change of sensor response through optical pumping [11]. The extrinsic semiconductor is, however, independently variable with a distinctly different band structure and electron dynamics associated with n- or p-type doping. Although these two

Structural and electronic properties of oligo- and polythiophenes modified by substituents

• Simon P. Rittmeyer and
• Axel Groß

Beilstein J. Nanotechnol. 2012, 3, 909–919, doi:10.3762/bjnano.3.101

• exchange–correlation functionals to reproduce the correct magnitude of band gaps. The calculated band structure can be improved by including self-energy corrections. However, including such corrections basically just affects the distance between valence and correction band, the shape and k-point dependence

• DOS of the substituted polymers is compared with the DOS of the unsubstituted PTp. Interestingly enough, although there are some changes in the band structure, there is only a minor effect of the substituents on the band gap. The band gap of 1.19 eV for the unsubstituted polythiophene is changed to

• more than 1 eV. In order to analyze the reason for the rather similar band gaps, we compare in Figure 6 the band structures of the unsubstituted polymer PTp (Figure 6a) with the substituted polymers NH2PTp (Figure 6b) and NO2PTp (Figure 6c). The amino group does not change the band structure

Pure hydrogen low-temperature plasma exposure of HOPG and graphene: Graphane formation?

• Baran Eren,
• Dorothée Hug,
• Laurent Marot,
• Rémy Pawlak,
• Marcin Kisiel,
• Roland Steiner,
• Dominik M. Zumbühl and
• Ernst Meyer

Beilstein J. Nanotechnol. 2012, 3, 852–859, doi:10.3762/bjnano.3.96

• valence-band structure, which suggests double-sided hydrogenation. With the scanning tunneling microscopy technique, various atomic-scale charge-density patterns were observed, which may be associated with different C–H conformers. Hydrogen-LTP-exposed graphene on SiO2 has a Raman spectrum in which the D

• theoretical calculation of hydrogenated graphite from Allouche et al. [34], full hydrogenation of graphite results in a σ band structure very similar to diamond, an sp3 hybridized carbon allotrope [33][36]. From this point of view, we can claim that this UPS spectrum is the valence band spectrum of

• different possible C–H conformations of hydrogenated graphene layers. On the other hand, surface corrugation or point defects caused after LTP exposure also have a contribution to these patterns. Regarding its valence-band structure measured with UPS, hydrogen-LTP-exposed HOPG has similar features to cubic

Towards atomic resolution in sodium titanate nanotubes using near-edge X-ray-absorption fine-structure spectromicroscopy combined with multichannel multiple-scattering calculations

• Carla Bittencourt,
• Peter Krüger,
• Maureen J. Lagos,
• Xiaoxing Ke,
• Gustaaf Van Tendeloo,
• Chris Ewels,
• Polona Umek and
• Peter Guttmann

Beilstein J. Nanotechnol. 2012, 3, 789–797, doi:10.3762/bjnano.3.88

• energy splitting of the fine structure in the L3–eg band. From Figure 3a, we can see that this value is 0, 0.44 and 0.82 eV, respectively, for SrTiO3, (Na,H)TiNTs and anatase. Krüger showed that the L3–eg peak splitting in TiO2 is a band-structure effect, which mainly reflects the connectivity of the

Channeling in helium ion microscopy: Mapping of crystal orientation

• Vasilisa Veligura,
• Gregor Hlawacek,
• Raoul van Gastel,
• Harold J. W. Zandvliet and
• Bene Poelsema

Beilstein J. Nanotechnol. 2012, 3, 501–506, doi:10.3762/bjnano.3.57

• specimen. A measurement of the energy of the backscattered helium atoms provides quantitative information on composition [3], and ionoluminescence gives access to electronic properties such as the band structure and the nature of color centers. Unfortunately, to date no experimental procedure has been

X-ray absorption spectroscopy by full-field X-ray microscopy of a thin graphite flake: Imaging and electronic structure via the carbon K-edge

• Carla Bittencourt,
• Adam P. Hitchock,
• Xiaoxing Ke,
• Gustaaf Van Tendeloo,
• Chris P. Ewels and
• Peter Guttmann

Beilstein J. Nanotechnol. 2012, 3, 345–350, doi:10.3762/bjnano.3.39

• properties of graphene in 2004 by Geim and Novoselov triggered intense interest in its electronic structure [1][2][3][4][5][6][7][8][9][10][11]. A key aspect of the electronic structure, namely understanding how the graphene band structure is altered by impurity doping introduced during the synthesis

Investigation on structural, thermal, optical and sensing properties of meta-stable hexagonal MoO₃ nanocrystals of one dimensional structure

• Angamuthuraj Chithambararaj and
• Arumugam Chandra Bose

Beilstein J. Nanotechnol. 2011, 2, 585–592, doi:10.3762/bjnano.2.62

• transformation into a highly stable orthorhombic structure were confirmed by thermal studies. The optical band structure and ethanol vapor-sensing behavior were studied by means of diffuse reflectance spectroscopy (DRS) and fiber optics spectroscopy, respectively. To the best of our knowledge, this paper reports

Room temperature excitation spectroscopy of single quantum dots

• Christian Blum,
• Frank Schleifenbaum,
• Martijn Stopel,
• Sébastien Peter,
• Marcus Sackrow,
• Vinod Subramaniam and
• Alfred J. Meixner

Beilstein J. Nanotechnol. 2011, 2, 516–524, doi:10.3762/bjnano.2.56

• trapped in a dark state. Clearly, these drops to the background level are not related to narrow absorbance lines due to the band structure of the semiconductor quantum dots. In this case, drops in the recorded intensity would result in excitation wavelengths for which no emission can be recorded. The

Simple theoretical analysis of the photoemission from quantum confined effective mass superlattices of optoelectronic materials

• Debashis De,
• Sitangshu Bhattacharya,
• S. M. Adhikari,
• A. Kumar,
• P. K. Bose and
• K. P. Ghatak

Beilstein J. Nanotechnol. 2011, 2, 339–362, doi:10.3762/bjnano.2.40

• ], IV–VI [12] and HgTe/CdTe [13] SLs have also been experimentally realized. The IV–VI SLs shows new physical properties in comparison with the III–V SL owing to the peculiar band structure of the constituent materials [14]. The II–VI SLs are being used for optoelectronic operation in the blue [14

Schottky junction/ohmic contact behavior of a nanoporous TiO₂ thin film photoanode in contact with redox electrolyte solutions

• Masao Kaneko,
• Hirohito Ueno and
• Junichi Nemoto

Beilstein J. Nanotechnol. 2011, 2, 127–134, doi:10.3762/bjnano.2.15

• solution) negatively charged. As the result the band structure of the SC (both the valence band (VB) and the conduction band) is bent as shown in Figure 3. This curved portion of the band structure is called a space charge layer (also called a depletion layer, where electrons are depleted). Under this

• the VB. The electron and the hole form an exciton (excited electron–hole pair), which is usually short-lived and recombines if there is no driving force to separate them. However, when the band structure is bent as in Figure 3 for an n-SC, the hole can migrate towards the SC interface, and the

• are transported first to the fluorine-doped tin oxide (FTO, SnO2:F) conductive layer through TiO2 grain boundaries and then to the cathode reducing electron acceptor there (O2 in the present case). In a Schottky junction, under the conditions when the band structure is flat without any bending, the

Ultrafine metallic Fe nanoparticles: synthesis, structure and magnetism

• Olivier Margeat,
• Marc Respaud,
• Catherine Amiens,
• Pierre Lecante and
• Bruno Chaudret

Beilstein J. Nanotechnol. 2010, 1, 108–118, doi:10.3762/bjnano.1.13

• ferromagnetic metals [1][2][3][4]. More surprisingly, the study of small Rh NPs revealed a paramagnetic to ferromagnetic phase transition induced by size reduction for clusters containing less than 40 atoms [5]. Band structure calculations have investigated the role of size reduction and demonstrated that it

• [16]. For all these systems, the structure of the clusters and the influence of the substrate, which could both modify the electronic band structure, remain uncertain. This could explain the disparities observed in the experimental results. The theoretical investigations carried out so far were

• to the atomic polytetrahedral arrangement, in particular the presence of many non-equivalent Fe sites compared to the conventional α-Fe phase. Band structure calculations on cubic Fe phases show a shell dependent magnetic moment with quite large differences between the core and the surface [7][8][9

On the reticular construction concept of covalent organic frameworks

• Binit Lukose,
• Agnieszka Kuc,
• Johannes Frenzel and
• Thomas Heine

Beilstein J. Nanotechnol. 2010, 1, 60–70, doi:10.3762/bjnano.1.8

• second code, which can perform calculations using k-points, was used to calculate the electronic properties (band structure and density of states). Band gaps have been calculated as an additional stability indicator. While these quantities are typically strongly underestimated in standard LDA- and GGA