Laser processing of thin-film multilayer structures: comparison between a 3D thermal model and experimental results

• Babak B. Naghshine and
• Amirkianoosh Kiani

Beilstein J. Nanotechnol. 2017, 8, 1749–1759, doi:10.3762/bjnano.8.176

• can be modelled using regular laws of heat transfer and thermodynamics. A 3D transient model that was previously proven to be accurate for laser processing of the bulk materials [21] was customized for a multilayer structure and used in this paper. In this model, the 3D heat conduction equation

Spin-chemistry concepts for spintronics scientists

• Konstantin L. Ivanov,
• Alexander Wagenpfahl,
• Carsten Deibel and
• Jörg Matysik

Beilstein J. Nanotechnol. 2017, 8, 1427–1445, doi:10.3762/bjnano.8.143

• Introduction In general, chemical reactions are discussed in terms of thermodynamics: reaction enthalpy, reaction entropy and free energy. It is also recognized that steric and charge effects can lead to kinetic control of the reaction dynamics by introduction of activation energies. In some cases, chemical

• efficient triplet-state recombination are also known [43] and even should not be treated as exceptional). Spin rules strictly apply and impose a rigorous kinetic control over thermodynamics. Hence, only singlet-state radical pairs recombine, while triplet-state radical pairs do not recombine, even when this

Diffusion and surface alloying of gradient nanostructured metals

• Zhenbo Wang and
• Ke Lu

Beilstein J. Nanotechnol. 2017, 8, 547–560, doi:10.3762/bjnano.8.59

• concentrations in both systems. This mechanism might also contribute to the promoted growth kinetics of a compound layer in GNS samples. Stored energy and reaction thermodynamics Thermal analysis (see Figure 4b) of the reaction between Zn and GNS Fe showed that an exothermic peak appears at about 309 °C, which

Nanocrystalline TiO₂/SnO₂ heterostructures for gas sensing

• Barbara Lyson-Sypien,
• Anna Kusior,
• Mieczylaw Rekas,
• Jan Zukrowski,
• Marta Gajewska,
• Katarzyna Michalow-Mauke,
• Thomas Graule,
• Marta Radecka and
• Katarzyna Zakrzewska

Beilstein J. Nanotechnol. 2017, 8, 108–122, doi:10.3762/bjnano.8.12

• , oxygen adsorption and semiconducting behavior at higher temperatures. As can be seen in Figure 8b, for SnO2-rich heterostructures Tmax is about 100–125 °C, while for TiO2-rich heterostructures as shown in Figure 8c, Tmax is much higher within the range of 200–250 °C. From the thermodynamics of chemical

Three-gradient regular solution model for simple liquids wetting complex surface topologies

• Sabine Akerboom,
• Marleen Kamperman and
• Frans A. M. Leermakers

Beilstein J. Nanotechnol. 2016, 7, 1377–1396, doi:10.3762/bjnano.7.129

• binodal. Curved L/V interfaces: Kelvin and Laplace Macroscopic droplets (with negligible curvature) cannot be generated using our method. As the system size is limited, our drops have L/V interfaces that are typically strongly curved. The thermodynamics of curved interfaces is well understood, but there

Fast diffusion of silver in TiO₂ nanotube arrays

• Wanggang Zhang,
• Yiming Liu,
• Diaoyu Zhou,
• Hui Wang,
• Wei Liang and
• Fuqian Yang

Beilstein J. Nanotechnol. 2016, 7, 1129–1140, doi:10.3762/bjnano.7.105

• during the heat treatment, as observed in Figure 5 and Figure 6. According to the theory of thermodynamics [37], the melting point of a material is a function of the size of the material. The size dependence of the melting point of a material in spherical shape can be expressed as [38] with Here, Tm(r

Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress

• Chang-Wan Kim,
• Mai Duc Dai and
• Kilho Eom

Beilstein J. Nanotechnol. 2016, 7, 685–696, doi:10.3762/bjnano.7.61

• crucial role in the elastic properties of graphene sheets when their size is L < 25 nm (Figure 1a). The values of effective elastic moduli of graphene, which were obtained from the resonant frequencies in this work, are quantitatively comparable to those predicted from atomistic model-based thermodynamics

• theory [27]. The discrepancy between results obtained from our model and thermodynamics model [27] is ascribed to the fact that the thermodynamic model in [27] assumes two infinite edges and two finite edges, while our model considers four finite edges. Now, we investigate the role that the edge stresses

Molecular machines operating on the nanoscale: from classical to quantum

• Igor Goychuk

Beilstein J. Nanotechnol. 2016, 7, 328–350, doi:10.3762/bjnano.7.31

• case of thermal heat engines, the source of energy is provided by heat exchange with two heat reservoirs or baths at different temperatures, T1, and T2 > T1, with the maximum possible Carnot efficiency of ηC = 1 − T1/T2 [7]. This very famous textbook result of classical thermodynamics (or rather

• law of thermodynamics) beyond their validity domains. Furthermore, a profoundly quantum dynamics has often just a few relevant discrete quantum energy levels, rather than a continuum of quantum states. A two-state quantum system serves as a prominent example. Here, one may prefer a different approach

• energy are bounded and can be neglected in the balance of energy in the long run, since Q(t), Ein(t), and W(t) typically grow linearly (or possibly sublinearly in the case of anomalously slow dynamics with memory, see below) in time. The energy balance yields the first law of thermodynamics: Q(t) + W(t

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

• hydrides. The general chemical reaction is then: MHx + xLi+ + xe− M + xLiH. The purpose of this review is to describe the properties of these metal hydrides properties in the reaction vs Li+/Li0 (conversion reaction) with a focus on thermodynamics, involved reaction mechanisms, and some key issues to

• volumetric capacity plays a key role. I.2 Thermodynamics of hydrides After experimental results on the conversion reaction with MgH2/Li [5][6] were reported, other systems that could be involved in the electrochemical conversion process were addressed from thermodynamic rules. The general reaction between

• Gibbs free energy of formation of MHx and LiH (ΔfG°298(LiH) and ΔfG°298(MHx). It corresponds to the sum of reactions (Equation 1 + Equation 2) given as: The Gibbs free energy of the reaction in Equation 3 is: According to the thermodynamics rules, the reaction is feasible for ΔrG°298 ≤ 0 and

Two-phase equilibrium states in individual Cu–Ni nanoparticles: size, depletion and hysteresis effects

• Aram S. Shirinyan

Beilstein J. Nanotechnol. 2015, 6, 1811–1820, doi:10.3762/bjnano.6.185

• .6.185 Abstract In isolated bimetallic nanoscale systems the limit amount of matter and surface-induced size effects can change the thermodynamics of first-order phase transformation. In this paper we present theoretical modification of Gibbs free energy concept describing first-order phase

• ]. Unfortunately, many recently published works using the framework of thermodynamics do not take into account the chemical depletion factor. Moreover, classical Gibbs thermodynamics for nucleation does not consider the composition change in a matrix around the new formed nucleus supposing that such changes are

• explaining the influence of sizes and depletion on modification of Gibbs thermodynamics for multicomponent nanoscale systems. For simplicity we restrict the consideration by bimetallic individual nanoparticles. Next the T–X diagrams for an individual nanoparticle in solid–liquid two-phase region based upon

Possibilities and limitations of advanced transmission electron microscopy for carbon-based nanomaterials

• Xiaoxing Ke,
• Carla Bittencourt and
• Gustaaf Van Tendeloo

Beilstein J. Nanotechnol. 2015, 6, 1541–1557, doi:10.3762/bjnano.6.158

• dimension to the study of carbon-based nanomaterials. One of the most commonly applied stimuli is the temperature. Increasing the temperature has promoted self-healing of the knock-on damage in CNTs and related carbon-based nanohybrids in agreement with the thermodynamics of annealing. In situ heating to

Magnetic properties of iron cluster/chromium matrix nanocomposites

• Arne Fischer,
• Robert Kruk,
• Di Wang and
• Horst Hahn

Beilstein J. Nanotechnol. 2015, 6, 1158–1163, doi:10.3762/bjnano.6.117

• precipitate sizes and the width of their distributions, as well as the chemical compositions of the precipitates and the matrix are severely limited by the thermodynamics of the alloy systems. Therefore, in any case the potential of alloy design will remain limited as long as thermo-mechanical treatment is

From lithium to sodium: cell chemistry of room temperature sodium–air and sodium–sulfur batteries

• Philipp Adelhelm,
• Pascal Hartmann,
• Conrad L. Bender,
• Martin Busche,
• Christine Eufinger and
• Juergen Janek

Beilstein J. Nanotechnol. 2015, 6, 1016–1055, doi:10.3762/bjnano.6.105

Multiscale modeling of lithium ion batteries: thermal aspects

• Arnulf Latz and
• Jochen Zausch

Beilstein J. Nanotechnol. 2015, 6, 987–1007, doi:10.3762/bjnano.6.102

• and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We

• usually concentrate on individual electronic processes without considering the interplay with the environment or competing electronic processes, which might be statistically and thus macroscopically much more significant [7]. In ab initio thermodynamics, DFT is combined with ideas from statistical

• crucial. Non-equilibrium thermodynamics To make contact with theories on atomistic scales, it is necessary to formulate the continuum theories in terms of quantities that have a well defined physical meaning and can either be obtained by simulations on atomistic scales or from independent experiments

Protein corona – from molecular adsorption to physiological complexity

• Lennart Treuel,
• Dominic Docter,
• Michael Maskos and
• Roland H. Stauber

Beilstein J. Nanotechnol. 2015, 6, 857–873, doi:10.3762/bjnano.6.88

• is of paramount importance, yet, the long and continuing struggle of statistical mechanics in fully explaining the ensemble observations of thermodynamics serves as an impressive reminder of the complexity that can arise from attempting such seemingly trivial links. The fact that the serum corona

Magnetic properties of self-organized Co dimer nanolines on Si/Ag(110)

• Lisa Michez,
• Kai Chen,
• Fabien Cheynis,
• Frédéric Leroy,
• Alain Ranguis,
• Haik Jamgotchian,
• Margrit Hanbücken and
• Laurence Masson

Beilstein J. Nanotechnol. 2015, 6, 777–784, doi:10.3762/bjnano.6.80

• mesoscale organization of the structures formed. As growth occurs in many cases under non-equilibrium conditions, the resulting structures result from a competition between kinetics and thermodynamics. With respect to metallic nanostructures, the morphology is essentially determined by kinetics and results

• regular-spaced surface traps, which can exist as steps [1][2], atomic sites [3], or the combination of both [4][5], chemical species [6] or dislocation networks [7]. In contrast, when molecules are deposited onto surfaces, the growth is more driven by thermodynamics and molecular arrangements are the

• complex interplay between kinetics and thermodynamics. The last twenty years have seen an unprecedented rise in the interest in magnetic nanostructures. Besides the interest to potential technological applications, such as magnetic field sensors or magnetic data storage, numerous studies have been devoted

Statistics of work and orthogonality catastrophe in discrete level systems: an application to fullerene molecules and ultra-cold trapped Fermi gases

• Antonello Sindona,
• Michele Pisarra,
• Mario Gravina,
• Cristian Vacacela Gomez,
• Pierfrancesco Riccardi,
• Giovanni Falcone and
• Francesco Plastina

Beilstein J. Nanotechnol. 2015, 6, 755–766, doi:10.3762/bjnano.6.78

• thermodynamics; orthogonality catastrophe; sudden quench; ultra-cold Fermi gases; work distribution; Introduction Closed many-particle systems and their out-of-equilibrium dynamics after a quench have been attracting considerable interest over the past years, with particular attention to the brutal disturbance

• results obtained in the two applications (Section Conclusion). Results and Discussion 1 Work distribution and energy spectrum in a sudden quench We begin by reviewing some concepts regarding non-equilibrium thermodynamics in a suddenly quenched Fermi gas. Consider a many-fermion system in a well-defined

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

• successfully account for the nanoparticle shapes observed in experiments, including nanoparticles that interact strongly with their environment. Being a multi-scale, first-principles thermodynamics technique, it offers a parameter-free model for the key components of modern functional materials. Recent

Rapid degradation of zinc oxide nanoparticles by phosphate ions

• Rudolf Herrmann,
• F. Javier García-García and
• Armin Reller

Beilstein J. Nanotechnol. 2014, 5, 2007–2015, doi:10.3762/bjnano.5.209

• Zn2+ concentration which in turn is determined by the thermodynamics and kinetics of the ZnO-NP dissolution [14]. Newer results have shown that ZnO-NP can survive the cell culture media used for the studies under certain conditions, and are dissolved inside the cells after uptake. Most of their

Cathode lens spectromicroscopy: methodology and applications

• T. O. Menteş,
• G. Zamborlini,
• A. Sala and
• A. Locatelli

Beilstein J. Nanotechnol. 2014, 5, 1873–1886, doi:10.3762/bjnano.5.198

• below 0.1% of a ML. These experiments provided a formidable means to access to the thermodynamics governing carbon segregation, graphene nucleation and film growth [36][37][38]. In other cases, LEEM imaging was used to monitor the intercalation of adspecies below graphene [39][40][41]. As a further

Liquid fuel cells

• Grigorii L. Soloveichik

Beilstein J. Nanotechnol. 2014, 5, 1399–1418, doi:10.3762/bjnano.5.153

Review of nanostructured devices for thermoelectric applications

• Giovanni Pennelli

Beilstein J. Nanotechnol. 2014, 5, 1268–1284, doi:10.3762/bjnano.5.141

• is the maximum conversion efficiency fixed by the second principle of thermodynamics. The second factor depends on the parameter Z, or better on the dimensionless parameter , that must be as high as possible to have high efficiencies. If → ∞, the efficiency η has the maximum value obtainable with

Design criteria for stable Pt/C fuel cell catalysts

• Josef C. Meier,
• Carolina Galeano,
• Ioannis Katsounaros,
• Jonathon Witte,
• Hans J. Bongard,
• Angel A. Topalov,
• Claudio Baldizzone,
• Stefano Mezzavilla,
• Ferdi Schüth and
• Karl J. J. Mayrhofer

Beilstein J. Nanotechnol. 2014, 5, 44–67, doi:10.3762/bjnano.5.5

AFM as an analysis tool for high-capacity sulfur cathodes for Li–S batteries

• Renate Hiesgen,
• Seniz Sörgel,
• Rémi Costa,
• Linus Carlé,
• Ines Galm,
• Natalia Cañas,
• Brigitta Pascucci and
• K. Andreas Friedrich

Beilstein J. Nanotechnol. 2013, 4, 611–624, doi:10.3762/bjnano.4.68

• Renate Hiesgen Seniz Sorgel Remi Costa Linus Carle Ines Galm Natalia Canas Brigitta Pascucci K. Andreas Friedrich Faculty of Basic Science, University of Applied Sciences Esslingen, Esslingen, Germany, Institute of Technical Thermodynamics, Electrochemical Energy Technology, German Aerospace

Influence of the solvent on the stability of bis(terpyridine) structures on graphite

• Daniela Künzel and
• Axel Groß

Beilstein J. Nanotechnol. 2013, 4, 269–277, doi:10.3762/bjnano.4.29

• , they all agree that the adsorption of BTP from the TCB solvent is almost thermoneutral. The substrate simply acts as a template to allow a planar arrangement of the network, which is stabilized by the intermolecular interaction. Using an atomic thermodynamics approach, the order of the stability of

• enthalpy of the molecule adsorbed at the substrate/solvent interface minus the free enthalpy of the molecule dissolved above the substrate/solvent interface: We also determine free enthalpies instead of free energies, in order to remain consistent with our previous thermodynamics calculations that we want

• arrangement of the BTP molecules. Finally, the stability of ordered BTP network structures on graphite at room temperature has been addressed within an atomic thermodynamics approach. In agreement with the experiment, four different phases are found to be ordered according to their packing densities as a