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Search for "charge density" in Full Text gives 145 result(s) in Beilstein Journal of Nanotechnology.

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

Graphical Abstract
  • bandgap of 3.83 eV, some midgap states emerge after the interstitial doping of Eu. The energy bandgap of the host at the vicinity of doped region increases to 4.28 eV. The band and orbital decomposed charge density presented in Figure 5b shows that the midgap state is formed by strongly hybridized Eu and
  • doping ratio of the particles. (a) Perspective view of the atomic structure of Eu-doped Y(OH)3. (b) (left) The electronic band dispersion of Eu-doped Y(OH)3 (the Fermi level is set to zero) and (right) top and side view of the charge density corresponding to the midgap electronic state. White LED
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Published 07 Jun 2019

Synthesis and characterization of quaternary La(Sr)S–TaS2 misfit-layered nanotubes

  • Marco Serra,
  • Erumpukuthickal Ashokkumar Anumol,
  • Dalit Stolovas,
  • Iddo Pinkas,
  • Ernesto Joselevich,
  • Reshef Tenne,
  • Andrey Enyashin and
  • Francis Leonard Deepak

Beilstein J. Nanotechnol. 2019, 10, 1112–1124, doi:10.3762/bjnano.10.111

Graphical Abstract
  • to the hexagonal lattice is reduced upon increasing SrLa substitution. An analysis of the charge density distribution in the SrxLa1−xS–TaS2 misfits confirms the fairly ionic nature of the Sr atoms (like that in SrS compounds), while the La atoms establish covalent-like bonding with neighbor S atoms
  • [46]. Finally, the compound SrTa2S5 with hexagonal structure, which can be possibly described as SrS–(TaS2)2 MLC, was found to exhibit a transition to a superconductor state at 3.16 K. [47]. A few authors suggested that increasing the charge transfer from the MX unit to the TX2 suppresses the charge
  • density wave (CDW) transition, promoting thereby the superconducting state of the MLC [32]. This effect can be refined by controlling the Sr to rare-earth atoms in the MX lattice of the MLC. In the present work, the synthesis and characterization of nanotubes from the series SrxLa1−xS–TaS2 with ascending
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Published 24 May 2019

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

Graphical Abstract
  • the large dopant content and deep impurity levels, so that the impurity levels have influences on both the CBM and VBM. Therefore, we cannot infer from observing the band structure whether the impurity atom is the donor or acceptor in the doped phosphorenes. Charge density difference In order to
  • denominate donor and acceptor in the doped phosphorenes, the charge density difference Δρ (CDD) is computed as follows [26]: where ρtot, ρvP, and ρd are the electron density of doped phosphorene, black phosphorene with one vacancy, and a dopant atom. The obtained results of Si- and S-doped phosphorenes are
  • phosphorene with (e) 2 × 2 × 1, (f) 3 × 3 × 1, (g) 4 × 4 × 1, and (h) 5 × 5 × 1 supercell, respectively. The spin-up and spin-down energy bands are represented by red and blue lines, respectively. Charge density differences (CDDs) of doped phosphorene with different supercell sizes. (a–d) CDDs of Si-doped
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Published 02 May 2019

Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

  • Sha Dong,
  • Xiaoli Sun and
  • Zhiguo Wang

Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77

Graphical Abstract
  • 3.99 and 3.67 Å, respectively. The large distance and the small binding strength of S8 on 2H-MoS2 and 1T'-MoS2 monolayers indicate that the interaction mainly originates from van der Waals interactions. To understand the binding between LPSs and the 2HMoS2- and 1T'-MoS2 monolayers, the charge-density
  • redistribution becomes less pronounced, and there is almost no charge exchange between Li2S8 and the 2H-MoS2 monolayer, causing only weak adsorption. This agrees with the fact that the binding energy of Li2Sx absorbed on the 2H-MoS2 monolayer decreases as x increases from 1 to 8. The charge-density differences
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Published 26 Mar 2019

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

  • Luiza Buimaga-Iarinca and
  • Cristian Morari

Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70

Graphical Abstract
  • chosen to be smaller than the standard “Siesta” value of about 200 meV, thereby allowing us to produce orbitals with larger cutoff radii in order to accurately simulate the long-range interactions. The grid used to calculate the integrals and to represent the charge density and potentials was defined by
  • mechanism (see Supporting Information File 1, Figure S5, right). The analysis of the quantity displays shapes specific to a covalent bond, i.e., charge accumulation between the atoms in direct interaction. For one of the two spin components of charge density charge accumulation is present, while there is a
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Published 13 Mar 2019

Outstanding chain-extension effect and high UV resistance of polybutylene succinate containing amino-acid-modified layered double hydroxides

  • Adam A. Marek,
  • Vincent Verney,
  • Christine Taviot-Gueho,
  • Grazia Totaro,
  • Laura Sisti,
  • Annamaria Celli and
  • Fabrice Leroux

Beilstein J. Nanotechnol. 2019, 10, 684–695, doi:10.3762/bjnano.10.68

Graphical Abstract
  • the organic anions (determined using ChemBio 3D ultra 13.0 suite software) leads us to propose a monolayer arrangement for LDH/HIS where the main plane of the molecule is oriented nearly parallel to the hydroxide layer (Figure 2). From the point of charge density, Mg2Al hydroxide layers display an
  • (Figure 3). A parallel orientation similar to histidine would require a surface area per unit charge of ≈35 Å2, which is too high compared to the charge density of Mg2Al host layers, thus supporting the perpendicular orientation. Actually, phenylalanine molecules are likely to be oriented in an inclined
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Published 12 Mar 2019

Coexisting spin and Rabi oscillations at intermediate time regimes in electron transport through a photon cavity

  • Vidar Gudmundsson,
  • Hallmann Gestsson,
  • Nzar Rauf Abdullah,
  • Chi-Shung Tang,
  • Andrei Manolescu and
  • Valeriu Moldoveanu

Beilstein J. Nanotechnol. 2019, 10, 606–616, doi:10.3762/bjnano.10.61

Graphical Abstract
  • video shows oscillations in the charge density between the dots with a combination of the Rabi and the Zeeman frequency. This is in accordance with the left and right transport currents displayed in Figure 5. Moreover, the charge oscillations in the video explain the phase difference between the left
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Published 01 Mar 2019

Ceria/polymer nanocontainers for high-performance encapsulation of fluorophores

  • Kartheek Katta,
  • Dmitry Busko,
  • Yuri Avlasevich,
  • Katharina Landfester,
  • Stanislav Baluschev and
  • Rafael Muñoz-Espí

Beilstein J. Nanotechnol. 2019, 10, 522–530, doi:10.3762/bjnano.10.53

Graphical Abstract
  • crystallization experiments with specific concentration. The surface charge density was determined at pH 10 to ensure the complete deprotonation of the carboxylic groups. Synthesis of CeO2/polymer hybrid nanocapsules The synthesized polymeric nanocapsules, NC and NC(Ar), were used in the crystallization
  •  1 reports the different samples reported in this work with the corresponding particle sizes measured by DLS. The surface charge density of the negatively charged latex nanocapsules was determined by direct polyelectrolyte titration with a roughly 0.001 N solution of poly(diallyldimethyl ammonium
  • chloride), detecting the end point with an automatic streaming current detector with a particle-charge detector Mütek PCD-03 in combination with a Metrohm Titrino automatic titrator. The samples were diluted to a solid content of 0.1 wt % for titration and the surface charge density of 1.6 carboxylic
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Published 22 Feb 2019

pH-mediated control over the mesostructure of ordered mesoporous materials templated by polyion complex micelles

  • Emilie Molina,
  • Mélody Mathonnat,
  • Jason Richard,
  • Patrick Lacroix-Desmazes,
  • Martin In,
  • Philippe Dieudonné,
  • Thomas Cacciaguerra,
  • Corine Gérardin and
  • Nathalie Marcotte

Beilstein J. Nanotechnol. 2019, 10, 144–156, doi:10.3762/bjnano.10.14

Graphical Abstract
  • decrease of the charge density of oligochitosan (pKaOC 6.7) but also the increase of the PAA charge density, leading to an increase of the OC content relative to the DHBC in order to compensate the PAA charge in the PIC nanophase. Let us note that the fact that the amount of OC integrated in the material
  • volume. The EO/Si decrease reflects the weaker hydrogen bond interactions between EO and silica species, which are expected due to the pH-dependence of the charge density of silica species [40]. This decreased EO/SiOH interaction with pH is in good accordance with the well-admitted mechanism of formation
  • 7.9), the N/AA ratio sharply drops whereas EO/Si further decreases. The low value of N/AA is quite surprising since the charge density of OC decreases strongly above pH 6.5, and then even higher values of N/AA could be expected as a result of the necessary charge compensation in the PIC nanophase. Let
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Published 11 Jan 2019

Hydrogen-induced plasticity in nanoporous palladium

  • Markus Gößler,
  • Eva-Maria Steyskal,
  • Markus Stütz,
  • Norbert Enzinger and
  • Roland Würschum

Beilstein J. Nanotechnol. 2018, 9, 3013–3024, doi:10.3762/bjnano.9.280

Graphical Abstract
  • recently [60], is where Δεe denotes the change in elastic strain, α is the specific surface area A/V, K the bulk modulus, Δf the change in surface stress, and Enp the Young’s modulus of the nanoporous structure. Δf can be linked to the change in surface charge density Δq via electrocapillary coupling
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Published 10 Dec 2018

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

Graphical Abstract
  • by MFM (Figure 1). For = 0°, the hh and tt domain configuration leads to a maximization of the monopolar charge density within the DW. To reduce the stray-field energy, the DW core spreads into the adjacent domains. Substructures visible in Figure 1a close to the DW center originate from the high
  • charge density in the domain wall center, causing a widening of the latter [44]. The DW spreads wider into the bombarded areas than into the non-bombarded areas, resulting in asymmetric DWs. This is caused by the reduced effective magnetic anisotropy within the bombarded regions correlated to the nuclear
  • magnetic charge density minimizing the stray-field energy. These ripple structures are responsible for the significant spatial broadening of the experimentally observed charge profile when compared to the simulations. The shape of the smallest stable quadratic domain (d = 2 μm) also appears distorted in
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Published 03 Dec 2018

Investigation of CVD graphene as-grown on Cu foil using simultaneous scanning tunneling/atomic force microscopy

  • Majid Fazeli Jadidi,
  • Umut Kamber,
  • Oğuzhan Gürlü and
  • H. Özgür Özer

Beilstein J. Nanotechnol. 2018, 9, 2953–2959, doi:10.3762/bjnano.9.274

Graphical Abstract
  • complicated as it could be interpreted as a map of the local charge density of states of the surface at the Fermi level [6]. Therefore, depending on tip type and its electronic charge state, different relative contrasts of the atoms on the surface, including even reversal of contrast, are obtained in STM
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Published 28 Nov 2018

Nanocellulose: Recent advances and its prospects in environmental remediation

  • Katrina Pui Yee Shak,
  • Yean Ling Pang and
  • Shee Keat Mah

Beilstein J. Nanotechnol. 2018, 9, 2479–2498, doi:10.3762/bjnano.9.232

Graphical Abstract
  • -1-oxyl-mediated (or TEMPO-mediated) [137], and citric/hydrochloric acid hydrolysis [135] are used to increase the anionic charge density or provide cationic charges to the nanocellulose, which has diversified the application of nanocellulose. For example, the modification of nanocellulose to produce
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Published 19 Sep 2018

Nanotribology

  • Enrico Gnecco,
  • Susan Perkin,
  • Andrea Vanossi and
  • Ernst Meyer

Beilstein J. Nanotechnol. 2018, 9, 2330–2331, doi:10.3762/bjnano.9.217

Graphical Abstract
  • “Understanding and Controlling Nano and Mesoscale Friction”, which ran from 2013 to 2017. Here the covered topics include but are not limited to controlled manipulation of nanoparticles, optically trapped colloidal and ionic systems, superlubricity of graphene, sliding friction of organic molecules, charge
  • density waves, and perspectives of tuning friction using photo-assisted reactions. Hopefully, new ideas and further research work will be stimulated from this Thematic Series, which could not have come to light without the contributions of all authors and the constant support from the Beilstein-Institut
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Published 28 Aug 2018

Interaction-induced zero-energy pinning and quantum dot formation in Majorana nanowires

  • Samuel D. Escribano,
  • Alfredo Levy Yeyati and
  • Elsa Prada

Beilstein J. Nanotechnol. 2018, 9, 2171–2180, doi:10.3762/bjnano.9.203

Graphical Abstract
  • ). Our aim is to solve this equation together with the Bogoliubov–de Gennes equation for determining self-consistently the charge density ρ(x) along the nanowire. For this purpose we derive a generalized method of image charges that allows us to calculate the induced potential under rather general
  • charges that emerge in the electrostatic environment. We compute the electrostatic potential using Poisson’s equation where is the non-homogeneous dielectrical permittivity of the entire system and is the quantum and thermal average of the charge density of the nanowire obtained with Equation 1. The
  • interfaces. Then, assuming that the charge density in the nanowire is located along its symmetry axis (x-axis), we obtain the electrostatic potential using the method of image charges, as explained in detail in Section 1 of Supporting Information File 1. More precisely, is given by where Vb(x,x′) is a
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Published 15 Aug 2018

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

Graphical Abstract
  • covalent bonding between P3HT-COOH and TiO2 creates a dipole at the interface induced by: (i) the hybridization of the electronic orbitals of the two components, leading to a rearrangement of the charge density at the interface and (ii) the addition of a net dipole intrinsic to the P3HT-COOH molecule
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Published 01 Aug 2018

Recent highlights in nanoscale and mesoscale friction

  • Andrea Vanossi,
  • Dirk Dietzel,
  • Andre Schirmeisen,
  • Ernst Meyer,
  • Rémy Pawlak,
  • Thilo Glatzel,
  • Marcin Kisiel,
  • Shigeki Kawai and
  • Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

Graphical Abstract
  • voltage and/or the distance [188][189][190][191][192]. An example of particular interest is that of charge-density waves (CDW) where a superstructure is formed by a charge redistribution. Langer et al. have observed that the damping coefficient can be drastically changed on NbSe2, when the probing tip is
  • locally disturbing the charge density waves [188] (Figure 7). At a certain threshold, the CDW shows a phase slip, which then leads to dissipation. Another example where non-contact friction can be influenced by external parameters are the measurements of superconductors across the critical temperature
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Published 16 Jul 2018

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

Graphical Abstract
  • force are converged to 10−6 eV and 0.001 eV/Å, respectively. The calculations on band structures and charge density are undertaken with an energy cut-off of 500 eV for the plane-wave expansion and Monkhorst–Pack k-point meshes of 3 × 3 × 1 in the whole Brillouin zone. The adsorption energy (binding
  • ) nanosheet to the physically adsorbed gas molecules. With the calculated favorable configuration, we compute the corresponding magnetic charge density, total density of state (TDOS) as well as PDOS (Figure S3, Supporting Information File 1) for pristine 2D XS2 (X = Mo, W) and 2D XS2 (X = Mo, W) with adsorbed
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Published 05 Jun 2018

Interaction-tailored organization of large-area colloidal assemblies

  • Silvia Rizzato,
  • Elisabetta Primiceri,
  • Anna Grazia Monteduro,
  • Adriano Colombelli,
  • Angelo Leo,
  • Maria Grazia Manera,
  • Roberto Rella and
  • Giuseppe Maruccio

Beilstein J. Nanotechnol. 2018, 9, 1582–1593, doi:10.3762/bjnano.9.150

Graphical Abstract
  • latex with surface charge density 1.2 µC/cm2 and concentration 8% w/v) and 500 ± 50 nm (non-functionalized Polybeads® – microspheres containing a slight anionic charge from sulfate ester, concentration 2.5% w/v) were respectively purchased from Invitrogen and Polyscience, Inc. Poly
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Published 29 May 2018

Cathodoluminescence as a probe of the optical properties of resonant apertures in a metallic film

  • Kalpana Singh,
  • Evgeniy Panchenko,
  • Babak Nasr,
  • Amelia Liu,
  • Lukas Wesemann,
  • Timothy J. Davis and
  • Ann Roberts

Beilstein J. Nanotechnol. 2018, 9, 1491–1500, doi:10.3762/bjnano.9.140

Graphical Abstract
  • of the gold film is shown in (a), while (b) shows the vertical component of the electric field in a vertical plane with reference to the geometry shown in (a). The (instantaneous) surface charge density on the metal boundary at a wavelength of (c) 580 nm and (d) 690 nm is also shown. Simulated power
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Published 18 May 2018

Andreev spectrum and supercurrents in nanowire-based SNS junctions containing Majorana bound states

  • Jorge Cayao,
  • Annica M. Black-Schaffer,
  • Elsa Prada and
  • Ramón Aguado

Beilstein J. Nanotechnol. 2018, 9, 1339–1357, doi:10.3762/bjnano.9.127

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  • very small values, affecting the topological protection of the MBSs. To complement this introductory part, calculations of the wavefunctions and charge density associated with the lowest levels of the topological superconducting nanowire spectrum are presented in the Supporting Information File 1
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Published 03 May 2018

Artifacts in time-resolved Kelvin probe force microscopy

  • Sascha Sadewasser,
  • Nicoleta Nicoara and
  • Santiago D. Solares

Beilstein J. Nanotechnol. 2018, 9, 1272–1281, doi:10.3762/bjnano.9.119

Graphical Abstract
  • function [3][4][5]. (ii) The CPD can reflect spatial variations in the charge density [6][7][8], individual localized charges [9], or even partial charge densities within a single molecule [10][11]. Finally, (iii) doping type and charge-carrier concentration in semiconductors will control the position of
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Published 24 Apr 2018

Electro-optical interfacial effects on a graphene/π-conjugated organic semiconductor hybrid system

  • Karolline A. S. Araujo,
  • Luiz A. Cury,
  • Matheus J. S. Matos,
  • Thales F. D. Fernandes,
  • Luiz G. Cançado and
  • Bernardo R. A. Neves

Beilstein J. Nanotechnol. 2018, 9, 963–974, doi:10.3762/bjnano.9.90

Graphical Abstract
  • -doped graphene. The most stable structure α (Figure 2) leads to a charge density of 1.10 × 1013 cm−2 (1.17 × 1013 cm−2) which was estimated via Mulliken population analysis (Hirshfeld method) [19][20][21]. Retinoic acid is a well-known dye molecule with potential applications in solar cells [22][23][24
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Published 23 Mar 2018

Surface-plasmon-enhanced ultraviolet emission of Au-decorated ZnO structures for gas sensing and photocatalytic devices

  • T. Anh Thu Do,
  • Truong Giang Ho,
  • Thu Hoai Bui,
  • Quang Ngan Pham,
  • Hong Thai Giang,
  • Thi Thu Do,
  • Duc Van Nguyen and
  • Dai Lam Tran

Beilstein J. Nanotechnol. 2018, 9, 771–779, doi:10.3762/bjnano.9.70

Graphical Abstract
  • [10][11]. SPR of Au NPs strongly depends upon the Au–ZnO matrix interface, as well as the dielectric properties of the surrounding ZnO matrix [12][13]. (ii) The AuNPs possibly deplete more carriers near the ZnO surface, which increases the charge density of ZnO and leads to enhanced interaction with
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Published 01 Mar 2018

Mechanistic insights into plasmonic photocatalysts in utilizing visible light

  • Kah Hon Leong,
  • Azrina Abd Aziz,
  • Lan Ching Sim,
  • Pichiah Saravanan,
  • Min Jang and
  • Detlef Bahnemann

Beilstein J. Nanotechnol. 2018, 9, 628–648, doi:10.3762/bjnano.9.59

Graphical Abstract
  • condition results in the rearrangement of the charge density and builds an opposing electric field within the noble metal NPs. This further leads to the establishment of a coulombic restoring force and the noble metal NP electrons then experience harmonic oscillation [1][5][13][14]. These oscillating
  • of semiconductors could increase the free-charge density and promote the LSPR arising from collective oscillations of excess free charges on semiconductor surface, thus enhancing the NIR absorption abilities [141][142]. Interestingly, Cu2–xSe nanocrystals (NCs) showed distinct NIR plasmon band due to
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Published 19 Feb 2018
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