Engineering of oriented carbon nanotubes in composite materials

• Razieh Beigmoradi,
• Abdolreza Samimi and
• Davod Mohebbi-Kalhori

Beilstein J. Nanotechnol. 2018, 9, 415–435, doi:10.3762/bjnano.9.41

• by FTIR can confirm the results of observations [137][143][144][145]. For example, it has been reported that adhesion of the polymer to the CNT leads to constrained motion of the polymer chains and simplifies the charge transfer process, which consequently improves transport properties [146]. Also

Synthesis and characterization of electrospun molybdenum dioxide–carbon nanofibers as sulfur matrix additives for rechargeable lithium–sulfur battery applications

• Ruiyuan Zhuang,
• Shanshan Yao,
• Maoxiang Jing,
• Xiangqian Shen,
• Jun Xiang,
• Tianbao Li,
• Kesong Xiao and
• Shibiao Qin

Beilstein J. Nanotechnol. 2018, 9, 262–270, doi:10.3762/bjnano.9.28

• charge-transfer reaction and lithium ion diffusion in the interface of solid electrodes can be derived [38][39]. Figure 6a displays the Nyquist plots of pure sulfur and S/MoO2–CNFs electrodes. Each Nyquist plot consists of a semicircle in the high to medium frequency region and a sloping line in the low

• frequency region. The equivalent circuits compatible with the Nyquist diagrams are represented in the inset of Figure 6a, which contain the solution resistance (Rs), the charge-transfer resistance of the electrode (Rct) and a constant phase element corresponding to the double-layer capacitance (CPE). A

• steep sloping line in the low-frequency region, corresponding to the Warburg impedance, was represented by W0. The fitting results are listed in Table 4. Obviously, the S/MoO2–CNF cathodes possessed lower charge transfer resistance than pure sulfur cathodes, indicating better charge transfer between the

Anchoring of a dye precursor on NiO(001) studied by non-contact atomic force microscopy

• Sara Freund,
• Antoine Hinaut,
• Nathalie Marinakis,
• Edwin C. Constable,
• Ernst Meyer,
• Catherine E. Housecroft and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2018, 9, 242–249, doi:10.3762/bjnano.9.26

• that they are lying flat on the surface in a trans-conformation. Within the limits of our Kelvin probe microscopy setup a charge transfer from NiO to the molecular layer of 0.3 electrons per molecules was observed only in the areas where the molecules are closed packed. Keywords: metal oxide; nickel

• image (Figure 5b) shows that this voltage is the same for islands with V and H orientations, indicating that the adsorption geometry of DCPDMbpy, influencing either the charge transfer between the surface and the molecules or the intramolecular dipole strength and orientation, is identical. The absolute

• that the molecules are linked to each other via H-bridging of their carboxylic groups. This interaction, however, needs an activation induced by increasing the molecule density on the surface. Furthermore, this arrangement allows for electrical coupling and, consequently, also for charge transfer

Facile synthesis of silver/silver thiocyanate (Ag@AgSCN) plasmonic nanostructures with enhanced photocatalytic performance

• Xinfu Zhao,
• Dairong Chen,
• Abdul Qayum,
• Bo Chen and
• Xiuling Jiao

Beilstein J. Nanotechnol. 2017, 8, 2781–2789, doi:10.3762/bjnano.8.277

• 4.8-fold faster than that of the bare AgSCN, so the existence of an appropriate amount of Ag played a prominent role in the photodegradation process. Electrochemical impedance spectrum (EIS) was used to illustrate the rate of charge transfer for the photocatalysts. Nyquist plots of M0, M1, M2, M3, M4

• , M5 were shown in Figure S4 (see Supporting Information File 1), the circular radius of plot over M2 in the high-frequency region was much smaller than that of other catalysts, which suggested the smallest charge transfer resistance for M2, while the charge transfer resistance for M0 was the largest

CdSe nanorod/TiO₂ nanoparticle heterojunctions with enhanced solar- and visible-light photocatalytic activity

• Fakher Laatar,
• Hatem Moussa,
• Halima Alem,
• Lavinia Balan,
• Emilien Girot,
• Ghouti Medjahdi,
• Hatem Ezzaouia and
• Raphaël Schneider

Beilstein J. Nanotechnol. 2017, 8, 2741–2752, doi:10.3762/bjnano.8.273

• the visible light range and increases the photoconversion efficiency by improving the charge transfer [9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36][37]. CdSe is one of the most commonly used semiconductors due to its narrow bandgap (1.7

One-step chemical vapor deposition synthesis and supercapacitor performance of nitrogen-doped porous carbon–carbon nanotube hybrids

• Egor V. Lobiak,
• Lyubov G. Bulusheva,
• Ekaterina O. Fedorovskaya,
• Yury V. Shubin,
• Pavel E. Plyusnin,
• Pierre Lonchambon,
• Boris V. Senkovskiy,
• Zinfer R. Ismagilov,
• Emmanuel Flahaut and
• Alexander V. Okotrub

Beilstein J. Nanotechnol. 2017, 8, 2669–2679, doi:10.3762/bjnano.8.267

• , which is necessary for fast charge transfer in an electrochemical cell. However, in this case, the components are connected only through this limited interface that may not allow the synergism from their hybridization to be fully reach. The synthesis of two morphologically different carbon nanomaterials

• circle radius, Rct, characterizes the charge-transfer resistance, which is inversely proportional to the rate of electron transfer. The initial point of the circle at high frequency, Rf, corresponds to the solid–solution resistance. The vertical line is the Warburg impedance, which arises from

• limitations of the ion diffusion in the electrolyte [52]. The values determined from the Nyquist plot analysis are collected in Table 2. The Rf values are close for all studied samples because they possess a good wettability due to the presence of oxygen-containing groups and incorporated nitrogen. The charge

Enhanced photoelectrochemical water splitting performance using morphology-controlled BiVO₄ with W doping

• Xin Zhao and
• Zhong Chen

Beilstein J. Nanotechnol. 2017, 8, 2640–2647, doi:10.3762/bjnano.8.264

• the surface charge injection (inset in Figure 6b) [25]. In the equivalent circuit, Rs represents the sum of resistance values of the FTO film, the external electrical contacts, and the liquid electrolyte; Rct and Cbulk represent, respectively, the direct charge transfer resistance, and a capacitance

• more surface depletion layers, which leads to a higher capacitance. The surface charge transfer resistance of the sample 0-water is about 3783 Ω, while the one of sample 1-EG is smaller at around 2629 Ω. The smaller charge transfer resistance leads to a higher interfacial charge injection efficiency

• for water oxidation as shown in Figure 5c. It was reported that a porous film with a larger surface area has led to a lower interfacial charge transfer efficiency for water oxidation than its dense counterpart [12]. The current work indicates an opposite trend in that the surface charge injection was

The role of ligands in coinage-metal nanoparticles for electronics

• Ioannis Kanelidis and
• Tobias Kraus

Beilstein J. Nanotechnol. 2017, 8, 2625–2639, doi:10.3762/bjnano.8.263

• thiolates increased when decreasing the number of saturated units [58]. A different study found that π–π-stacking of phenyl groups in films of phenylethylthiolate-stabilized gold nanoparticles determined the interparticle separation and regulated charge transfer. The short ligand chain and the aromatic

• moieties facilitate charge transfer with the conductivities exhibiting a clear Arrhenius behavior implying charge transfer driven by thermal activation in an electron hopping mechanism. Maximal conductivity was reached when the aromatic groups of ligands of adjacent particles were stacked [59]. Whatever

Adsorption of iron tetraphenylporphyrin on (111) surfaces of coinage metals: a density functional theory study

• Hao Tang,
• Nathalie Tarrat,
• Véronique Langlais and
• Yongfeng Wang

Beilstein J. Nanotechnol. 2017, 8, 2484–2491, doi:10.3762/bjnano.8.248

• . At the end, the relationship between the substrate and the coordination sphere of Fe is discussed in terms of molecule–surface interaction, charge transfer and work function modification. Results and Discussion Free molecule and conformations The ideal D4h symmetry, exhibiting the phenyl rings

• adsorbed FeTPP in the deckchair conformation (C2h). In the following we check the strength of different interactions involved in the adsorption of this HS FeTPP on the Au(111) surface as well as the charge transfer, work function modification and the projected density of states (PDOS) variations. In the

• , respectively) [20][21]. The deformation energy of the adsorbed FeTPP is found to be +1.08 eV (0.03 eV for the gold surface), while the intramolecular vdW energy is −3.12 eV. The charge transfer defined as the difference between the number of valence electron in the adsorbed molecule and in the free molecule in

Towards molecular spintronics

• Georgeta Salvan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2017, 8, 2464–2466, doi:10.3762/bjnano.8.245

• considered molecules spans from heterotrinuclear bis(oxamato)-type and bis(oxamidato)-type complexes [1][2][3], to exchange-coupled dinickel complexes [4], metallo-phthalocyanines [5][6][7], metallo-porphyrins [8][9] and charge-transfer complexes [10][11], to metal-free molecules like pentacene-derivatives

Comprehensive investigation of the electronic excitation of W(CO)₆ by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV

• Mónica Mendes,
• Khrystyna Regeta,
• Filipe Ferreira da Silva,
• Nykola C. Jones,
• Søren Vrønning Hoffmann,
• Gustavo García,
• Chantal Daniel and
• Paulo Limão-Vieira

Beilstein J. Nanotechnol. 2017, 8, 2208–2218, doi:10.3762/bjnano.8.220

• with clear vibrational structure, and a few lower-energy shoulders in addition to a couple of lower-energy metal-to-ligand charge-transfer (MLCT) bands reported in the literature before. Absolute photoabsorption cross sections are reported and, where possible, compared to previously published results

• assigned to a symmetry-forbidden feature. Rosa and co-workers [15] have proposed that in the region of 3.5–4.0 eV spin-allowed but symmetry-forbidden charge-transfer transitions as well as spin-forbidden but orbital-allowed 1A1g→a,b3T1u transitions occur. The present calculations including SOC effects show

• that three “spin–orbit” states, namely 1T1u, 2T1u and 3T1u of metal-to-ligand charge transfer (MLCT) character, which are composed essentially of 13T1u, 13Eu and 13T2u states, contribute to this region (Table 1 and Table S1 in Supporting Information File 1). B. Band I (3.9–4.8 eV/330–260 nm) The

Electronic structure, transport, and collective effects in molecular layered systems

• Torsten Hahn,
• Tim Ludwig,
• Carsten Timm and
• Jens Kortus

Beilstein J. Nanotechnol. 2017, 8, 2094–2105, doi:10.3762/bjnano.8.209

• tetracyanoquinodimethane (TCNQ) [5][6]. At interfaces between different organic materials interesting physical phenomena appear, in most cases due to (partial) charge transfer between the materials. One example is the formation of a two-dimensional metallic interface between insulating organic crystals [7][8]. Other

• effects are metal-insulator transitions or superconductivity which were reported for organic charge-transfer crystals realized by a combination of strongly electron-accepting and strongly electron-donating molecules [9][10]. Recently, a heterostructure of manganese phthalocyanine (MnPc) and structurally

• similar fluorinated copper phthalocyanine (F16CoPc), has demonstrated the occurrence of hybridization [11]. It was proved that a local charge transfer which affects only the transition-metal centers changes the charge state of the transition metal and is directly related to a change of its magnetic moment

Adsorbate-driven cooling of carbene-based molecular junctions

• Giuseppe Foti and
• Héctor Vázquez

Beilstein J. Nanotechnol. 2017, 8, 2060–2068, doi:10.3762/bjnano.8.206

• of the CA junction. Electron donation from the carbene to the Au tip is reduced in the presence of the NH2 unit, resulting in NHC spectral features at slightly higher energies in the C than in the CA junctions. Notice that the behavior in terms of charge transfer and redistribution of this NH2

Intercalation of Si between MoS₂ layers

• Rik van Bremen,
• Qirong Yao,
• Soumya Banerjee,
• Deniz Cakir,
• Nuri Oncel and
• Harold J. W. Zandvliet

Beilstein J. Nanotechnol. 2017, 8, 1952–1960, doi:10.3762/bjnano.8.196

• graphene layers synthesized on metal substrates [59][60][61]. The driving force for intercalation is charge transfer between the intercalated atoms and the layered material [62][63] or thermodynamic stabilization [61][62]. The mechanism of intercalation was found to occur through cracks and wrinkles in the

• occurred. It is very likely that the observed shift is attributed to a change in the position of the Fermi level. It has been shown that the deposition of MoS2 on a SiO2 substrate with interface impurities leads to a charge transfer from the MoS2 surface to the defect states and, thus, to the formation of

Coexistence of strongly buckled germanene phases on Al(111)

• Weimin Wang and
• Roger I. G. Uhrberg

Beilstein J. Nanotechnol. 2017, 8, 1946–1951, doi:10.3762/bjnano.8.195

• within 0.01 eV/Å. Simulated STM images were generated from local density of states according to the Tersoff–Hamann approach [17]. The charge transfer was calculated by the Bader scheme within VASP. (a) LEED pattern obtained at an electron energy of 55 eV from Al(111) with 0.6 ML of Ge deposited at a rate

Freestanding graphene/MnO₂ cathodes for Li-ion batteries

• Şeyma Özcan,
• Aslıhan Güler,
• Tugrul Cetinkaya,
• Mehmet O. Guler and
• Hatem Akbulut

Beilstein J. Nanotechnol. 2017, 8, 1932–1938, doi:10.3762/bjnano.8.193

• coin cells. The initial specific capacity of graphene/α-, β-, and γ-MnO2 freestanding cathodes was found to be 321 mAhg−1, 198 mAhg−1, and 251 mAhg−1, respectively. Finally, the graphene/α-MnO2 cathode displayed the best cycling performance due to the low charge transfer resistance and higher

• the cell, electrochemical impedance spectroscopy (EIS) measurements were performed and results are shown in Figure 5. The width of the Nyquist curves indicates the charge transfer resistance (Rct) of the graphene/α-MnO2, graphene/β-MnO2 and graphene/γ-MnO2 cathodes [30]. As seen from Figure 5, the

Carbon nano-onions as fluorescent on/off modulated nanoprobes for diagnostics

• Stefania Lettieri,
• Marta d’Amora,
• Adalberto Camisasca,
• Alberto Diaspro and
• Silvia Giordani

Beilstein J. Nanotechnol. 2017, 8, 1878–1888, doi:10.3762/bjnano.8.188

• transfer (PET) and internal charge transfer (ICT) donor characteristics of the dimethylamino functionalities attached to a π-extended distyryl-substituted boron dipyrromethene (BODIPY) dye [23][24] to obtain a pH-sensitive nano-probe. Hence, CNOs grafted with BODIPY 3 molecules (fluo-CNOs) led to the

• Figure 1, Table 1). We observed that the on/off process is fast and reversible making this dye suitable for pH-dependent probes. Interestingly, this BODIPY sample also exhibited an internal charge transfer (ICT) characteristic resulting in a hypsochromic shift of the dye emission upon nitrogen

Application of visible-light photosensitization to form alkyl-radical-derived thin films on gold

• Rashanique D. Quarels,
• Xianglin Zhai,
• Neepa Kuruppu,
• Jenny K. Hedlund,
• Ashley A. Ellsworth,
• Amy V. Walker,
• Jayne C. Garno and
• Justin R. Ragains

Beilstein J. Nanotechnol. 2017, 8, 1863–1877, doi:10.3762/bjnano.8.187

• (bpy)3]2+ (1) results in a long-lived (τ = 1100 ns) [41], oxidizing metal-to-ligand charge transfer excited state [Ru(bpy)3]2+* (2, E1/2(M*/M-) = +0.77 V, SCE) [41] that accepts an electron from benzyl nicotinamide (BNAH, 3, E1/2 = +0.76 V, SCE) [41] to generate the strongly-reducing [Ru(bpy)3]+ (5

• solutions of phthalimide ester and BNAH results in the formation of radicals albeit with a dramatic reduction in efficiency compared to the same reactions performed in the presence of [Ru(bpy)3]2+ [37]. The mechanism of such processes may involve the intermediacy of charge transfer complexes between

Structural model of silicene-like nanoribbons on a Pb-reconstructed Si(111) surface

• Agnieszka Stępniak-Dybala and
• Mariusz Krawiec

Beilstein J. Nanotechnol. 2017, 8, 1836–1843, doi:10.3762/bjnano.8.185

• growing on the bare surface move Pb atoms, which form the dense phase in between the NRs. The stability of Si NRs is achieved by passivation of the bare Si(111) surface by Pb atoms, which in turn lowers the surface energy. The main process behind the energy lowering is the charge transfer from Pb to Si

Non-intuitive clustering of 9,10-phenanthrenequinone on Au(111)

• Ryan D. Brown,
• Rebecca C. Quardokus,
• Natalie A. Wasio,
• Jacob P. Petersen,
• Angela M. Silski,
• Steven A. Corcelli and
• S. Alex Kandel

Beilstein J. Nanotechnol. 2017, 8, 1801–1807, doi:10.3762/bjnano.8.181

• molecule so that it is oriented toward the center. This is not an energetically favorable configuration from an electrostatic standpoint. While in some cases weak dipoles on coinage metals can direct self-assembly [31], a combination of charge transfer and screening of in-plane adsorbate dipoles can result

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

• Fadil Iyikanat,
• Ali Kandemir,
• Cihan Bacaksiz and
• Hasan Sahin

Beilstein J. Nanotechnol. 2017, 8, 1742–1748, doi:10.3762/bjnano.8.175

• surface, the amount of charge transfer and energy barriers are given in Table 2. As shown in Figure 2a, four sites of 6Si, 2H, 2HT and 3H are considered as different binding sites for H-α-Si. Our calculations reveal that the most favorable site is 6Si, with the Si–Li bond length of 2.70 Å. In this binding

Three-in-one approach towards efficient organic dye-sensitized solar cells: aggregation suppression, panchromatic absorption and resonance energy transfer

• Jayita Patwari,
• Samim Sardar,
• Bo Liu,
• Peter Lemmens and
• Samir Kumar Pal

Beilstein J. Nanotechnol. 2017, 8, 1705–1713, doi:10.3762/bjnano.8.171

• extinction coefficient (ε) of the metal-to-ligand charge transfer (MLCT) band, a poor absorption in the near-infrared (NIR) range of the solar light and the toxicity are well-documented limitations of these Ru photosensitizers [12]. As an alternative to Ru dyes, less toxic and less expensive organic dyes are

• (Figure 1b) and the absorption spectra of SQ2 in ethanol (Figure 1c), it can be correlated that the highest intensity peak appearing at 651 nm corresponds to π–π* charge-transfer (CT) transitions. A lower intensity peak at the blue end (604 nm) of the spectra is a notable signature of dye aggregation [27

Oxidative stabilization of polyacrylonitrile nanofibers and carbon nanofibers containing graphene oxide (GO): a spectroscopic and electrochemical study

• İlknur Gergin,
• Ezgi Ismar and
• A. Sezai Sarac

Beilstein J. Nanotechnol. 2017, 8, 1616–1628, doi:10.3762/bjnano.8.161

• analyzer, and thermal studies are conducted by using thermogravimetric analysis. Electrochemical impedance spectroscopy, and cyclic voltammetry are used to investigate capacitive behavior of the products. The proposed equivalent circuit model was consistent with charge-transfer processes taking place at

• ohmic resistance of the solution, Rct represents the charge-transfer resistance between nanofiber electrodes and electrolyte interface and Qdl (constant phase element (CPE)) is the double-layer CPE, a frequency-dependent element. The Nyquist plot in Figure 6a consists of a semicircle related to the

• electron-transfer process. The charge-transfer resistance (Rct) can be calculated from measuring the diameter of the semicircle. According to the Bode phase plot in Figure 6b, the phase angle of the sample was 10° around 80 Hz. In the Bode magnitude plot, the absolute values of impedance are plotted as a

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

• Florian Rückerl,
• Daniel Waas,
• Bernd Büchner,
• Martin Knupfer,
• Dietrich R. T. Zahn,
• Francisc Haidu,
• Torsten Hahn and
• Jens Kortus

Beilstein J. Nanotechnol. 2017, 8, 1601–1615, doi:10.3762/bjnano.8.160

• large electron affinity. These can be exploited to prepare particular compounds and interfaces with appropriate partners, which are characterized by a charge transfer from or to MnPc. We summarize recent spectroscopic and theoretical results that have been achieved in this regard. Keywords: charge

• -metal phthalocyanine to date. These exceptional properties of MnPc render it possible that this molecule can undergo charge-transfer reactions of either kind, i.e., it can be oxidized or reduced by suitable reaction partners. This can be utilized to synthesize new compounds with potentially interesting

• properties. In this contribution we present a summary of recent results in regard of charge transfer compounds, or interfaces characterized by charge transfer, which all are based on MnPc. Materials and methodology This article covers charge-transfer reactions of manganese phthalocyanine with the alkali

Two-dimensional carbon-based nanocomposites for photocatalytic energy generation and environmental remediation applications

• Suneel Kumar,
• Ashish Kumar,
• Ashish Bahuguna,
• Vipul Sharma and
• Venkata Krishnan

Beilstein J. Nanotechnol. 2017, 8, 1571–1600, doi:10.3762/bjnano.8.159

• charge transfer and better catalytic dispersion to enhance the photocatalytic activity. The 2D carbon-based nanomaterials combine several of the above-mentioned advantages of both 2D and carbon-based materials, and have shown great prospects as catalysts for various applications. As this is currently an

• investigated in detail by various research groups. Hence, a new class of photocatalysts with significantly suppressed charge recombination and fast interfacial charge transfer have been developed using these materials with extraordinary H2 evolution capability. Yeh et al. [107] demonstrated graphite oxide as a

• sites for H2 evolution, increasing interfacial charge transfer and reducing the recombination probability of photogenerated electron–hole pairs [116]. However, the high cost of noble metals limits their use as cocatalysts on a large scale. Graphene has been demonstrated to be one of the best