Nitrogen-doped twisted graphene grown on copper by atmospheric pressure CVD from a decane precursor

• Ivan V. Komissarov,
• Nikolai G. Kovalchuk,
• Vladimir A. Labunov,
• Ksenia V. Girel,
• Olga V. Korolik,
• Mikhail S. Tivanov,
• Algirdas Lazauskas,
• Mindaugas Andrulevičius,
• Tomas Tamulevičius,
• Viktoras Grigaliūnas,
• Šarunas Meškinis,
• Sigitas Tamulevičius and
• Serghej L. Prischepa

Beilstein J. Nanotechnol. 2017, 8, 145–158, doi:10.3762/bjnano.8.15

• consequence, it enhances the concentration of radicals with specific configurations. Obviously, the enthalpy of the hydrocarbon reaction with N2 depends on the hydrocarbon radical configuration [68]. Therefore, using these arguments the variation in doping level for samples A and B could be tentatively

Controlled supramolecular structure of guanosine monophosphate in the interlayer space of layered double hydroxide

• Gyeong-Hyeon Gwak,
• Istvan Kocsis,
• Yves-Marie Legrand,
• Mihail Barboiu and
• Jae-Min Oh

Beilstein J. Nanotechnol. 2016, 7, 1928–1935, doi:10.3762/bjnano.7.184

• ) diagrams for both GL hybrids suggested the hydrogen bonding among GMP moiety in GL-R hybrid (Figure 5). For comparison, we carried out DSC measurements of GMP only, which showed 177.33 kJ/mol of endothermic enthalpy change at 191.28 °C, indicating strong hydrogen bonding among GMP molecules. Also, we

• verified that the DSC diagram of pristine LDH showed an endothermic peak at 216.23 °C with an enthalpy change of 39.9 kJ/mol, which exactly matches the calculated water evaporation energy (≈40 kJ/mol) of Mg2Al(OH)6(NO3)·H2O. Both hybrids showed a strong endothermic peak at around 200 °C, which was

• attributed to breaking intermolecular interaction of interlayer GMP as well as evaporating interlayer water molecules. Interlayer water was evaporated from the DSC of pristine LDH at around 210 °C with an enthalpy change of ≈40 kJ/mol, which was subtracted from the endothermic enthalpy of GL hybrids. The

Tunable longitudinal modes in extended silver nanoparticle assemblies

• Serene S. Bayram,
• Klas Lindfors and
• Amy Szuchmacher Blum

Beilstein J. Nanotechnol. 2016, 7, 1219–1228, doi:10.3762/bjnano.7.113

• before reaching a steady-state in less than 60 min. The spontaneity is likely enthalpy-driven due to dipole–dipole binding events that are exothermic. Although the assembly process is entropically not favourable, some entropy is regained through branching (Figure 3). Figure 3 shows the development of

Reasons and remedies for the agglomeration of multilayered graphene and carbon nanotubes in polymers

• Rasheed Atif and
• Fawad Inam

Beilstein J. Nanotechnol. 2016, 7, 1174–1196, doi:10.3762/bjnano.7.109

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

• of pencils or solid lubricants based on graphite. Graphene can also be exfoliated from graphite by chemical methods, the process of which is very similar to the dispersion of polymers in particular solvents. This method can be explained by enthalpy and charge transfer between the graphene layers and

• the solvent molecules [88][89]. In particular, it was discovered that effective solvents are those with a surface energy similar to graphene (≈0–50 mJ m−2) [88]: where ΔHmix is the enthalpy of the mixing, Vmix is the volume of the mixture, TNS is the thickness of a graphene nanosheet, ES,S and ES,G

• are the surface energies of the solvent and graphene, and is the volume fraction of graphene dispersed in the solution. From Equation 1, it is clear that the enthalpy of the mixing is minimal when the two surface energies are close or equivalent meaning that the exfoliation will take place with mild

Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters

• Elvis C. M. Ting,
• Tatiana Popa and
• Irina Paci

Beilstein J. Nanotechnol. 2016, 7, 53–61, doi:10.3762/bjnano.7.6

• the enthalpy of the binding process: For unbound systems, the basis set superposition error (BSSE) was estimated using a counterpoise (CP) correction: where f indicates the final geometry, subscripts indicate the molecule being considered, and the superscripts indicate the basis set in which each

Nanostructured surfaces by supramolecular self-assembly of linear oligosilsesquioxanes with biocompatible side groups

• Maria Nowacka,
• Anna Kowalewska and
• Tomasz Makowski

Beilstein J. Nanotechnol. 2015, 6, 2377–2387, doi:10.3762/bjnano.6.244

• entropy–enthalpy compensation [51][52][53]. Thus, the mechanism of adsorption of LPSQ-COOH/X on mica should be discussed with respect to possible intermolecular interactions between polymer chains and their relations with the substrate. Macromolecules consisting of surface-reactive repeating units can

Self-organization of gold nanoparticles on silanated surfaces

• Htet H. Kyaw,
• Salim H. Al-Harthi,
• Azzouz Sellai and
• Joydeep Dutta

Beilstein J. Nanotechnol. 2015, 6, 2345–2353, doi:10.3762/bjnano.6.242

• physical properties such as enthalpy, mechanical modulus, dielectric constant and specific volume [31]. The migration of AuNPs observed here was due to the changes in its physical properties. Upon annealing under vacuum, sample substrates reached to transition temperature, though due to the absence of

Nanoscale rippling on polymer surfaces induced by AFM manipulation

• Mario D’Acunto,
• Franco Dinelli and
• Pasqualantonio Pingue

Beilstein J. Nanotechnol. 2015, 6, 2278–2289, doi:10.3762/bjnano.6.234

• -b-PEO, the melting enthalpy of PEO, and the Helmholtz free energy for unfolding (and melting) of PEO. Composite films: Another class of samples showing a peculiar pattern formation are polymer blends. They can be miscible or immiscible, presenting clear phase separation or a similar morphology to

Distribution of Pd clusters on ultrathin, epitaxial TiO_x films on Pt₃Ti(111)

• Christian Breinlich,
• Maria Buchholz,
• Marco Moors,
• Tobias Pertram,
• Conrad Becker and
• Klaus Wandelt

Beilstein J. Nanotechnol. 2015, 6, 2007–2014, doi:10.3762/bjnano.6.204

• the Moiré superstructure of ultrathin aluminium oxide films grown on the chemically ordered, Ni3Al(111) surface [11][12][13][14]. The advantages of growing an oxide film from a component of an ordered alloy surface with a higher enthalpy of oxide formation are the somewhat better structural quality of

Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

• Luc Aymard,
• Yassine Oumellal and
• Jean-Pierre Bonnet

Beilstein J. Nanotechnol. 2015, 6, 1821–1839, doi:10.3762/bjnano.6.186

• thermodynamics point of view, for Zr, Ti, Na, Cs and Mg hydrides and not possible for Y, La, Ba, Ca. The Gibbs free enthalpy of formation (divided by the amount of substance of hydrogen) of these hydrides is smaller than that of LiH (inset Figure 2a). I.2.2 Ternary hydrides: In the case of ternary hydrides

•  2b (lower part) shows that the Gibbs free enthalpy of formation value for all these ternary hydrides (per mole hydrogen) is above that of LiH. For these hydrides the equilibrium potential of the cell is positive (Figure 2b) and the conversion reaction can be achieved. Equilibrium potentials are in

• , Na, Cs, Mg. Inset: Gibbs free formation enthalpy of these hydrides as a function of the equilibrium potential. b) For ternary hydrides Mg2NiH4, LaNiH4, CoTiH1.4, TiFeH2, ZrV2H5.1, ZrCr2H3.8, ZrMn2H3.6, TiMn1.5H2.5, TiCr1.8H3.5, LaNi5H6, LaNi4MnH5 [11]. Potentials vs Li+/Li0 of MHx/Li cells (V) as a

Thermal energy storage – overview and specific insight into nitrate salts for sensible and latent heat storage

• Nicole Pfleger,
• Thomas Bauer,
• Claudia Martin,
• Markus Eck and
• Antje Wörner

Beilstein J. Nanotechnol. 2015, 6, 1487–1497, doi:10.3762/bjnano.6.154

• for latent heat storage are called PCMs (phase change materials) because the heat storage is achieved by a phase change. Another technique to store heat is thermochemical heat storage (TCS). TCS makes use of the enthalpy of reaction ΔH. In reactions featuring a positive change of ΔH (endothermic

• parameter for PCM applications is the melting enthalpy H (e.g., kJ·kg−1) which in addition to the material costs (e.g., €·kg−1) determine the specific material investment costs (e.g., €·kW−1·h−1). In case of sensible heat storage the specific material investment costs (e.g., €·kW−1·h−1) are defined by the

• transfer. Additionally the density and the enthalpy at the phase transition are important because they determine the volumetric storage capacity. At the phase transition – which occurs within a temperature range of approximately 10 K or less – the change of enthalpy per temperature (∂H/∂T)p increases

Thermal treatment of magnetite nanoparticles

• Beata Kalska-Szostko,
• Urszula Wykowska,
• Dariusz Satula and
• Per Nordblad

Beilstein J. Nanotechnol. 2015, 6, 1385–1396, doi:10.3762/bjnano.6.143

• growth. On the other hand, it has been shown that for particular granular powders, the thermal stability increases with larger grain size [14]. These size-related effects are explained by enthalpy and stress, which influences the activation energy value [15]. Thermal sensitivity depends, in most cases

• structure be achieved [17]. At the nanoscale level, changes in the crystalline structure can be expected and observed at much lower temperatures, even very close to the room temperature. This is related to surface enthalpy and activation energy, which are size dependent [18]. It was found that Fe

Natural and artificial binders of polyriboadenylic acid and their effect on RNA structure

• Giovanni N. Roviello,
• Domenica Musumeci,
• Valentina Roviello,
• Marina Pirtskhalava,
• Alexander Egoyan and
• Merab Mirtskhulava

Beilstein J. Nanotechnol. 2015, 6, 1338–1347, doi:10.3762/bjnano.6.138

• negative enthalpy and positive entropy variations. The authors also reported the induction of self-assembled structures in poly(rA) due to coralyne, as evidenced by circular dichroism experiments. Remarkable changes in the circular dichroism spectrum of poly(rA) were found with complex formation of 2:1

• -structures in poly(rA) strands and led to cooperative melting transitions, as revealed in circular dichroism, UV and calorimetry studies. Finally, the fluorescence data showed that sanguinarine acts as an intercalator, while calorimetry experiments indicated that its binding is enthalpy-driven. In another

• affinity constant of about 104 M−1, (b) a remarkable energy transfer from adenine base pairs to the ligand, as well as (c) a significant conformational variation of the poly(rA) duplex. Calorimetry studies evidenced an exothermic- and enthalpy-driven binding of sanguinarine to double helical poly(rA) in

Probing fibronectin–antibody interactions using AFM force spectroscopy and lateral force microscopy

• Andrzej J. Kulik,
• Małgorzata Lekka,
• Kyumin Lee,
• Grazyna Pyka-Fościak and
• Wieslaw Nowak

Beilstein J. Nanotechnol. 2015, 6, 1164–1175, doi:10.3762/bjnano.6.118

• a steep rise starting from a loading rate of about 4000 pN/s. Independent of the loading rate region, the dynamic response curves of the FN-Mab complex overlapped, which may indicate that the activation enthalpy is independent from how the unbinding force is applied. A more detailed analysis of the

Stick–slip behaviour on Au(111) with adsorption of copper and sulfate

• Nikolay Podgaynyy,
• Sabine Wezisla,
• Christoph Molls,
• Shahid Iqbal and
• Helmut Baltruschat

Beilstein J. Nanotechnol. 2015, 6, 820–830, doi:10.3762/bjnano.6.85

• layer or even displacements of adsorbates [10][13]. We showed that the pressure necessary for the displacement of adsorbates such as a UPD metal calculated from a typical pressure dependence of the adsorption free enthalpy (as given by the adsorption volume, cf. [14][15]) does correspond to the pressure

Entropy effects in the collective dynamic behavior of alkyl monolayers tethered to Si(111)

• Christian Godet

Beilstein J. Nanotechnol. 2015, 6, 583–594, doi:10.3762/bjnano.6.60

• expression fB = fB0 exp(ΔS/k)·exp(−ΔE/kT) may explain very large apparent prefactor values, fB0 exp(ΔS/k); a linear relationship between ΔS and ΔE is thus a sufficient condition to obtain a linear compensation law (as found in Figure 6). In the YMC model, when a large activation enthalpy barrier ΔE is

Nanoparticle shapes by using Wulff constructions and first-principles calculations

• Georgios D. Barmparis,
• Zbigniew Lodziana,
• Nuria Lopez and
• Ioannis N. Remediakis

Beilstein J. Nanotechnol. 2015, 6, 361–368, doi:10.3762/bjnano.6.35

• lithium borohydride the Wulff construction of the nanocrystal does not provide features that can confirm or match experimental evidence. The reason is the low surface energy of compound, fast rotational motion of anions, and large enthalpy of formation of small clusters. Due to the weak interaction with

Liquid-phase exfoliated graphene: functionalization, characterization, and applications

• Mildred Quintana,
• Jesús Iván Tapia and
• Maurizio Prato

Beilstein J. Nanotechnol. 2014, 5, 2328–2338, doi:10.3762/bjnano.5.242

• at exfoliating graphite only if the net energetic cost of the process is very small. The enthalpy of mixing depends on the affinity between graphene layers and solvent molecules. Then, in order to obtain high yields of exfoliated graphite, the surface energy of the solvent must compete with the

Anticancer efficacy of a supramolecular complex of a 2-diethylaminoethyl–dextran–MMA graft copolymer and paclitaxel used as an artificial enzyme

• Yasuhiko Onishi,
• Yuki Eshita,
• Rui-Cheng Ji,
• Masayasu Onishi,
• Takashi Kobayashi,
• Masaaki Mizuno,
• Jun Yoshida and
• Naoji Kubota

Beilstein J. Nanotechnol. 2014, 5, 2293–2307, doi:10.3762/bjnano.5.238

• compared to the state in which it is not bound (enthalpy–entropy compensation or isokinetic theory) [28]. The enthalpy–entropy decrease is expected to stabilize the complexes against supramolecular stress, by Brownian movement owing to the law of entropy increase (effect of entropy elasticity) [29]. This

• . Therefore, in order for an enzyme–substrate reaction to advance spontaneously, it needs to be set to free energy change: ΔG = ΔH − TΔS < 0, and enthalpy (ΔH) must also decrease greatly with the entropy (enthalpy–entropy compensation or isokinetic theory) [28]. In fact, the change of enthalpy, ΔH‡, will

• decrease greatly by reduction of the interface for substrate adsorption, which is known popularly as an “induced-fit model” [48]. The enthalpy change is almost equal to the activation energy (ΔEa) in Figure 6, and a DDMC/PTX complex promotes a tubulin polymerization reaction, thereby leading to the

Non-covalent and reversible functionalization of carbon nanotubes

• Antonello Di Crescenzo,
• Valeria Ettorre and
• Antonella Fontana

Beilstein J. Nanotechnol. 2014, 5, 1675–1690, doi:10.3762/bjnano.5.178

• as phenylethyl alcohol [38] or N-methylpyrrolidone (NMP) [39]. Indeed NMP has been demonstrated to enter the bundles during sonication and remain strongly bound to the nanotube surface. This leads to an enthalpy of mixing that is approximately zero conferring to the corresponding free energy of

On the structure of grain/interphase boundaries and interfaces

• K. Anantha Padmanabhan and
• Herbert Gleiter

Beilstein J. Nanotechnol. 2014, 5, 1603–1615, doi:10.3762/bjnano.5.172

• % lower, but the enthalpy and the kinetic stability were higher compared with the melt-quenched glass variant. The rule of thumb that thermal stability is proportional to density is violated. (With a qualification “as long as the nature of the bonding between atoms does not change”, the above rule of

Nanoscale patterning of a self-assembled monolayer by modification of the molecule–substrate bond

• Cai Shen and
• Manfred Buck

Beilstein J. Nanotechnol. 2014, 5, 258–267, doi:10.3762/bjnano.5.28

• perfection [24][28][29][30], as a consequence of the specific molecular architecture characterised by an aromatic moiety linked to the thiol head group by a short aliphatic chain (see Figure 1a). Designing the molecules such that different factors that determine the enthalpy of the system compete to some

Confinement dependence of electro-catalysts for hydrogen evolution from water splitting

• Mikaela Lindgren and
• Itai Panas

Beilstein J. Nanotechnol. 2014, 5, 195–201, doi:10.3762/bjnano.5.21

• perfect electro-catalyst would exhibit an enthalpy change of 0 eV for the HER under ambient conditions. Moreover, it is inferred that a perfect electro-catalyst, which passes the HER into this hydroxylated interface via Equation 6 prior to the subsequent H2 release under ambient conditions, must display

• Equation 6. (c) The product in Equation 6 is displayed, including MX coordination to the additional oxygen ion replacing the hydride ion and the released grain boundary H2. (d) Hydride-proton recombination energies for H2 release into said interface (dashed black line at 1.1 eV), enthalpy change for H2

Deformation-induced grain growth and twinning in nanocrystalline palladium thin films

• Aaron Kobler,
• Jochen Lohmiller,
• Jonathan Schäfer,
• Michael Kerber,
• Anna Castrup,
• Ankush Kashiwar,
• Patric A. Gruber,
• Karsten Albe,
• Horst Hahn and
• Christian Kübel

Beilstein J. Nanotechnol. 2013, 4, 554–566, doi:10.3762/bjnano.4.64

• loaded with twin boundaries with an average spacing of 4 nm. All samples were then annealed for 1 ns at 500 K to minimize the enthalpy. Successive uniaxial straining simulations were carried out with a strain rate of 108 s−1. The evolution of defects during straining was extracted, using a dislocation