Using gold nanoparticles to detect single-nucleotide polymorphisms: toward liquid biopsy

• María Sanromán Iglesias and
• Marek Grzelczak

Beilstein J. Nanotechnol. 2020, 11, 263–284, doi:10.3762/bjnano.11.20

• achieved by a cascade of hybridization reactions prior to the optical signal transduction. One of the mechanisms that are discussed in the following section benefits from free energy driving cascades of toehold-mediated strand-displacement reactions. Other heavily exploited mechanisms are based on the

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• formed (Figure 2a). The simulated system seeks to minimise the surface free energy. Therefore, because the surface tension of copper is greater than that of silicon, the silicon atoms are segregated to the surface of the cluster, and copper atoms are segregated to the cluster core. The nucleus formed

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• could be clearly discriminated by this sensing system. The capacitance changes may be caused by the binding of the odorant to the protein accompanied with the derivation of the free-energy and conformational changes. Such capacitance-modulated transistors would be useful for molecular sensing with weak

The impact of crystal size and temperature on the adsorption-induced flexibility of the Zr-based metal–organic framework DUT-98

• Simon Krause,
• Volodymyr Bon,
• Hongchu Du,
• Rafal E. Dunin-Borkowski,
• Ulrich Stoeck,
• Irena Senkovska and
• Stefan Kaskel

Beilstein J. Nanotechnol. 2019, 10, 1737–1744, doi:10.3762/bjnano.10.169

• stabilized upon crystal downsizing. The reports on shape–memory effects [19][42] in flexible MOFs found to be intrinsically connected to the formation of metastable states indicate that crystal size and morphology are in fact parameters that significantly alter the free energy landscape of bistable

Precise local control of liquid crystal pretilt on polymer layers by focused ion beam nanopatterning

• Maxim V. Gorkunov,
• Irina V. Kasyanova,
• Vladimir V. Artemov,
• Alena V. Mamonova and
• Serguei P. Palto

Beilstein J. Nanotechnol. 2019, 10, 1691–1697, doi:10.3762/bjnano.10.164

• systems phenomenological approaches are usually sufficient [2]. One implies, for instance, a certain fixed director orientation at the surface (rigid boundary), or introduces a specific surface contribution to the LC free energy depending on the director orientation at the surface (soft boundary) [3]. In

Nanoporous smartPearls for dermal application – Identification of optimal silica types and a scalable production process as prerequisites for marketed products

• David Hespeler,
• Sanaa El Nomeiri,
• Jonas Kaltenbach and
• Rainer H. Müller

Beilstein J. Nanotechnol. 2019, 10, 1666–1678, doi:10.3762/bjnano.10.162

• agents in the amorphous state. However, the amorphous state is physically unstable. Because of their high free energy, amorphous phase materials tend to recrystallize [15], especially in the presence of liquids [16]. This has hindered the broad application of amorphous active agents in dermal

Magnetic segregation effect in liquid crystals doped with carbon nanotubes

• Danil A. Petrov,
• Pavel K. Skokov,
• Alexander N. Zakhlevnykh and
• Dmitriy V. Makarov

Beilstein J. Nanotechnol. 2019, 10, 1464–1474, doi:10.3762/bjnano.10.145

• -field theories [35][36], generalizations of the Landau–de Gennes phenomenological theory [37][38] or modifications of the free-energy functional of the LC, which take into account the presence of the CNT impurity [39]. In the present work, on the basis of the free energy functional [39] magnetic-field

• the absence of external fields. Recently, a continuum theory was proposed in [39] to describe the magneto-orientation response of an NLC–CNT suspension. It is based on the generalization of the free energy of an LC, taking into account the fact that a small amount of CNT impurities has been added to

• the NLC matrix. The total free energy F of such an NLC–CNT suspension in an external magnetic field can be written as follows: Here K11, K22, and K33 are the Frank constants, H is the external magnetic field strength, χa > 0 and are anisotropies of the diamagnetic susceptibility of the NLC matrix and

Growth of lithium hydride thin films from solutions: Towards solution atomic layer deposition of lithiated films

• Ivan Kundrata,
• Karol Fröhlich,
• Lubomír Vančo,
• Matej Mičušík and
• Julien Bachmann

Beilstein J. Nanotechnol. 2019, 10, 1443–1451, doi:10.3762/bjnano.10.142

• stable than lithium hydroxide (and butane). The Gibbs free energy of formation [14] of the possible reaction products is: In other words, the driving force for generating LiH from BuLi and H2O is significantly larger than that for generating LiOH (unless a large excess of water is present to cause the

Selective gas detection using Mn₃O₄/WO₃ composites as a sensing layer

• Yongjiao Sun,
• Zhichao Yu,
• Wenda Wang,
• Pengwei Li,
• Gang Li,
• Wendong Zhang,
• Lin Chen,
• Serge Zhuivkov and
• Jie Hu

Beilstein J. Nanotechnol. 2019, 10, 1423–1433, doi:10.3762/bjnano.10.140

• [16]. The blue-colored precursor was first oxidized into faint-yellow-colored WO3 nanowires, and then re-crystallized to nanoparticles or nanorods of larger size with less grain boundaries in order to reduce the free energy. Furthermore, with the increase of the amount of Mn, the proportion of

Periodic Co/Nb pseudo spin valve for cryogenic memory

• Nikolay Klenov,
• Yury Khaydukov,
• Sergey Bakurskiy,
• Roman Morari,
• Igor Soloviev,
• Vladimir Boian,
• Thomas Keller,
• Mikhail Kupriyanov,
• Anatoli Sidorenko and
• Bernhard Keimer

Beilstein J. Nanotechnol. 2019, 10, 833–839, doi:10.3762/bjnano.10.83

• functions, which already corresponds to the state with minimal free energy and automatically determines which of the states, either 0 or π , is energetically favorable on each junction. At the same time, in the systems with multiple junctions connected in series, there are multiple stable solutions

Ultrathin hydrophobic films based on the metal organic framework UiO-66-COOH(Zr)

• Miguel A. Andrés,
• Clemence Sicard,
• Christian Serre,
• Olivier Roubeau and
• Ignacio Gascón

Beilstein J. Nanotechnol. 2019, 10, 654–665, doi:10.3762/bjnano.10.65

• film homogeneity. Interestingly, a recent study has shown that alkyl phosphonic acids, such as ODP, interact with the zirconium oxide clusters situated near and on the surface of Zr-based MOFs and the surface free energy on the exterior of the MOF can be reduced by the octadecyl alkyl chains, spawning

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO₂ conversion

• Qianyi Cui,
• Gangqiang Qin,
• Weihua Wang,
• Lixiang Sun,
• Aijun Du and
• Qiao Sun

Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55

• was chosen as the SAC for the further investigation. CO2 electrocatalytic reduction The reaction mechanism of Mo-doped BN monolayer as a SAC for CRR was investigated via DFT calculations. The profile of the Gibbs free energy of the possible intermediates at each hydrogenation step is shown in Figure 3

• and the free energy variations of the main intermediates are displayed in the flow chart at the bottom. The detailed data of Figure 3 are given in Supporting Information File 1, Table S5. We have considered all possible intermediates and the optimized structures of the main product with the lowest

• energy in each step along the CRR pathways shown in Figure 4. The configurations of the by products are displayed in Supporting Information File 1, Figure S1. As shown in Figure 3, the total Gibbs free energy of the isolated CO2 molecule and the Mo-doped BN monolayer is defined as zero. For the first

Mechanical and thermodynamic properties of Aβ₄₂, Aβ₄₀, and α-synuclein fibrils: a coarse-grained method to complement experimental studies

• Adolfo B. Poma,
• Horacio V. Guzman,
• Mai Suan Li and
• Panagiotis E. Theodorakis

Beilstein J. Nanotechnol. 2019, 10, 500–513, doi:10.3762/bjnano.10.51

• is very close to the minimum free energy state (native). Here, the number of hydrogen bonds that participate in the deformation as a whole is larger as reported by all-atom simulations [4][5]. In contrast, during in vitro self-assembly of neurodegenerative fibrils the fibrilization process is

Polymorphic self-assembly of pyrazine-based tectons at the solution–solid interface

• Achintya Jana,
• Puneet Mishra and
• Neeladri Das

Beilstein J. Nanotechnol. 2019, 10, 494–499, doi:10.3762/bjnano.10.50

• could be their nearly similar stabilization energies. Thermodynamically, a monocomponent system self-assembles into an equilibrium structure that minimizes the Gibbs free energy. The entropic cost associated with adsorption on the substrate, due to the reduced degrees of freedom of molecules, is

Sub-wavelength waveguide properties of 1D and surface-functionalized SnO₂ nanostructures of various morphologies

• Venkataramana Bonu,
• Binaya Kumar Sahu,
• Arindam Das,
• Sankarakumar Amirthapandian,
• Sandip Dhara and
• Harish C. Barshilia

Beilstein J. Nanotechnol. 2019, 10, 379–388, doi:10.3762/bjnano.10.37

• transition between two competing phases at the nucleation stage itself and is found to control square and cylindrical shapes [8]. Considering a rectangular shape nucleus for square-shaped NWs (Figure 5a) and a circular-shaped nucleus for cylindrical NWs (Figure 5b), the difference in Gibbs free energy can be

• expressed as shown in Equation 1 and Equation 2, respectively [8]: Here Δgv is the Gibbs free energy per unit volume and quantified as RT(1,2)/Vm ln(P/Pe), and Δgv is basically a function of growth temperature (T1 = 1223 K, for square-shaped NWs and T2 = 1273 K, for cylindrical-shaped NWs). Again, r1 (r2

A Ni(OH)₂ nanopetals network for high-performance supercapacitors synthesized by immersing Ni nanofoam in water

• Donghui Zheng,
• Man Li,
• Yongyan Li,
• Chunling Qin,
• Yichao Wang and
• Zhifeng Wang

Beilstein J. Nanotechnol. 2019, 10, 281–293, doi:10.3762/bjnano.10.27

• during the dissolution and recrystallization process. The dissolved nickel atoms may continuously attach and bond to the surface of larger nanopetals, and form flower-like structures in order to achieve a minimum total free energy. Chemical characteristics of the composite surface In order to clarify the

Interaction of Te and Se interlayers with Ag or Au nanofilms in sandwich structures

• Arkadiusz Ciesielski,
• Lukasz Skowronski,
• Marek Trzcinski,
• Ewa Górecka,
• Wojciech Pacuski and
• Tomasz Szoplik

Beilstein J. Nanotechnol. 2019, 10, 238–246, doi:10.3762/bjnano.10.22

• interface, accelerate it or inhibit it. This is because of the change in the entropic contribution (ΔS) to the Gibbs free energy (ΔG = ΔH − TΔS, where T stands for temperature) of segregation. Voids at the intersection of multiple grain boundaries have a greater number of both substitutional and

• Gibbs free energy of such migration is limited. That said, diffusive contributions to ΔG (e.g., negative heat of mixing) may induce such migration. Segregation of Te and Se into the metal structure and influence on the permittivity To investigate the semiconductor migration process we have fabricated

Uniform Sb₂S₃ optical coatings by chemical spray method

• Jako S. Eensalu,
• Atanas Katerski,
• Erki Kärber,
• Ilona Oja Acik,
• Arvo Mere and
• Malle Krunks

Beilstein J. Nanotechnol. 2019, 10, 198–210, doi:10.3762/bjnano.10.18

• [14][15][38][40]. Growth mechanism of Sb2S3 layers by spray pyrolysis The three most common growth mechanisms of solids can be described by the following equations [41]: Where σSG is the surface free energy of the substrate–gas interface (TiO2–air), σLG is the surface free energy of the layer–gas

• interface (Sb2S3–air) and σSL is the surface free energy of the substrate–layer interface (TiO2–Sb2S3). The surface free energy (σ) is the driving force of fluids and solids to seek a condition of minimum energy by contracting interfacial surface area [41]. Separate 3D islands grow if Equation 1 is valid

Comparative biological effects of spherical noble metal nanoparticles (Rh, Pd, Ag, Pt, Au) with 4–8 nm diameter

• Alexander Rostek,
• Marina Breisch,
• Kevin Pappert,
• Kateryna Loza,
• Marc Heggen,
• Manfred Köller,
• Christina Sengstock and
• Matthias Epple

Beilstein J. Nanotechnol. 2018, 9, 2763–2774, doi:10.3762/bjnano.9.258

• , the equilibrium shape of a nanocrystal can be predicted by minimization of the surface free energy of the crystal for a given enclosed volume. According to the Wulff construction, face-centered cubic (fcc) crystals tend to form truncated octahedral particles with large {111} and small {100} surfaces

Block copolymers for designing nanostructured porous coatings

• Roberto Nisticò

Beilstein J. Nanotechnol. 2018, 9, 2332–2344, doi:10.3762/bjnano.9.218

• –disorder transition at a certain value of χN [43]. In detail, the Flory–Huggins model relies on the thermodynamics of polymer solutions by considering the Gibbs free energy for mixing polymer with solvents. According to the Flory–Huggins theory, to calculate the Flory–Huggins interaction parameter, it must

• be considered that, in a binary system, both polymer and solvent are randomly distributed in the volume, and the heat of mixing is proportional to the volume fraction of polymer segments in the volume. Hence, the free energy minimization during microphase separation favors the formation of various

• minimization of the surface free energy [104]. Analogously as for silica, even titania can be produced with closed spherical pores within the oxidic structures by using high molecular weight PS-b-PEO copolymers (as shown in Figure 6) [105]. Organic–inorganic PS-b-PEO/TiO2 hybrid nanostructured coatings can

Improving the catalytic activity for hydrogen evolution of monolayered SnSe_2(1−x)S_2x by mechanical strain

• Sha Dong and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2018, 9, 1820–1827, doi:10.3762/bjnano.9.173

• opportunity to tune the Gibbs free energy (ΔGH) for hydrogen adsorbed on the monolayer alloys and can be used to enhance HER performance. The HER catalytic properties of the catalyst can also be tuned through strain [42][47][48][49][50][51][52]. Gao et al. [53] demonstrated that a tensile strain is able to

• monolayer was used to avoid the periodic image interactions. The HER can be described by Equation 1 under the conditions pH = 0 and p(H2) = 1bar [64]: The first step of HER is that the H atom is bound to the active site of the catalyst; this step is the rate-determining step [65]. The Gibbs free energy of

• total energy of a molecule of hydrogen, respectively. Using the above values, the Gibbs free energy can be calculated using Equation 4, (a) Top view and (b) side view of monolayer SnSeS. (c) Variation of the lattice constant as a function of Se content in monolayer SnSe2(1−x)S2x. (d) Band gaps as a

Josephson effect in junctions of conventional and topological superconductors

• Alex Zazunov,
• Albert Iks,
• Miguel Alvarado,
• Alfredo Levy Yeyati and
• Reinhold Egger

Beilstein J. Nanotechnol. 2018, 9, 1659–1676, doi:10.3762/bjnano.9.158

• trace extends only over the Hilbert subspace corresponding to Equation 8. We can equivalently write Equation 13 in the form where F is the free energy. The Josephson current then follows as I =(2e/) ∂F, see Equation 5. Cotunneling regime We now address the CPR in the elastic cotunneling regime, where

• perturbation theory in Hint is justified. We thus wish to compute the free energy F() from Equation 14 to lowest nontrivial order. With W0 = , the standard cumulant expansion gives By virtue of Wick’s theorem, time-ordered correlation functions of the boundary operators (Equation 11) are now expressed in terms

• ABSs for U < Δ while the outer ABSs merge with the continuum for U > Δ [79]. Interestingly, the inner ABS contribution to the free energy for U = 10Δ is minimal for = π, see right panel of Figure 3, and we therefore expect π-junction behavior for By = 0 also in the regime with U Δ and B Δ. We notice

Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications

• Sri Kasi Matta,
• Chunmei Zhang,
• Yalong Jiao,
• Anthony O'Mullane and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116

• (HSE) exchange–correlation functional [15][16] and Wannier90 package [17] implemented in the VASP code. The thermodynamic stability of the material is assessed by the formation energy for the 2D material and is indicated as “the difference in free energy of the 2D material and the lowest value of the

Atomistic modeling of tribological properties of Pd and Al nanoparticles on a graphene surface

• Alexei Khomenko,
• Miroslav Zakharov,
• Denis Boyko and
• Bo N. J. Persson

Beilstein J. Nanotechnol. 2018, 9, 1239–1246, doi:10.3762/bjnano.9.115

• corresponding to a state with lower free energy, but most likely not the free-energy minimum state. This is manifested in Figure 2 in the decrease of Ly with increasing time, and as a strong increase in the temperature T, but the Berendsen thermostat finally results in the imposed temperature. Next, the

Understanding the performance and mechanism of Mg-containing oxides as support catalysts in the thermal dry reforming of methane

• Nor Fazila Khairudin,
• Mohd Farid Fahmi Sukri,
• Mehrnoush Khavarian and
• Abdul Rahman Mohamed

Beilstein J. Nanotechnol. 2018, 9, 1162–1183, doi:10.3762/bjnano.9.108

• ]. Pressure, temperature and the composition of reactants (CH4 and CO2) are emphasized the most in thermodynamic studies using Gibbs free energy minimization technique [13][57][58]. Effect of temperature and pressure in DRM In a DRM reaction, the conversion of CH4 and CO2 increases with an increase in

• al. [56] investigated the effect of temperature on the equilibrium conversion of CH4 and CO2 in a DRM reaction using Gibbs free energy minimization method. They showed that at low temperatures, Trxn < 800 °C (1073 K), the equilibrium conversion of CH4 was different for different ratios of CO2/CH4