Substrate-dependent pore formation in molybdenum disulfide monolayers under ion irradiation

• Yossarian Liebsch,
• Umair Javed,
• Lucia Skopinski,
• Leon Daniel,
• Franziska Appel,
• Radia Rahali,
• Clara Grygiel,
• Henning Lebius,
• Carolin Frank,
• Lars Breuer,
• Leon Kirsch,
• Frieder Koch,
• Jani Kotakoski and
• Marika Schleberger

Beilstein J. Nanotechnol. 2026, 17, 769–780, doi:10.3762/bjnano.17.54

• on experiments performed at the beam line M3 at the GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt (Germany) in the context of FAIR Phase-0. Part of the experiments was done at IRRSUD beamline of GANIL facility. The authors would like to thank the committees of EMIR&A network and IPAC-GANIL

Tailoring Ag–Pt nanoalloys through solid-state dewetting: structural and optical insights

• Marcin Łapiński,
• Piotr Okoczuk,
• Blaž Grobiša,
• Ewa Pawlikowska,
• Amelia Rozwadowska,
• Wojciech Sadowski and
• Barbara Kościelska

Beilstein J. Nanotechnol. 2026, 17, 748–759, doi:10.3762/bjnano.17.52

• metallic layers is their thickness: the thinner the layer, the lower the temperature at which it transforms into isolated islands. It can be stated that the significant influence of surface energy in thin-film structures, phase separation boundaries (layer–substrate, layer–liquid phase), grain boundaries

• in polycrystalline structures, various defects, mainly linear and plane (e.g., twinning), or finally local inhomogeneities of the thickness of thin films, strongly modify the phase equilibrium system. This, in turn, affects critical properties, including the melting temperature of metallic structures

• to its high gas-absorption capacity, making it highly relevant for catalytic applications. According to phase diagrams, bulk Ag–Pt bimetallic systems exhibit a large miscibility gap at temperatures below approximately 1190 °C, allowing alloy formation only at very high atomic concentrations of either

Superconducting artificial neural networks and quantum circuits

• Anatolie S. Sidorenko

Beilstein J. Nanotechnol. 2026, 17, 744–747, doi:10.3762/bjnano.17.51

• [20]. A theoretical study of the energy spectrum of a coupled single spin interacting with an infinitely coordinated Ising chain reveals a first-order phase transition between two stable phase-symmetric states, resulting in a splitting of the energy minima of the Ising chain. This phenomenon may be

Oxidative atmosphere-driven formation of single-phase spinel CuRh₂O₄ nanofibers for alkaline water oxidation

• Namhee Kim,
• Sumin Ko,
• Sohyeon Choi,
• Seoyoon Jang,
• Myung Hwa Kim and
• Dasol Jin

Beilstein J. Nanotechnol. 2026, 17, 737–743, doi:10.3762/bjnano.17.50

• (IMMS), Ewha Womans University, Seoul 03760, Republic of Korea 10.3762/bjnano.17.50 Abstract Cu–Rh bimetallic single-phase spinel oxide nanofibers were synthesized via electrospinning followed by post-annealing in precisely controlled oxidative environments. By systematically tuning the O2

• concentration in the He carrier gas flow during the annealing process, the optimal atmosphere was identified to produce phase-pure CuRh2O4. The as-prepared CuRh2O4 nanofibers exhibited excellent electrocatalytic performance toward the oxygen evolution reaction in 1.0 M NaOH (aq), highlighting the importance of

• , enhances metal–oxygen (M–O) covalency and optimizes the adsorption energies of key intermediates (*OH, *O, and *OOH), leading to improved reaction energetics [6][7][8]. Despite these advantages, synthesizing phase-pure spinel oxides remains challenging when Cu is incorporated. Cu-based catalysts are

Environmental applications of silver nanoparticles: state-of-the-art review and emerging trends

• Soni Prajapati,
• Akash Kumar and
• Ranjana Singh

Beilstein J. Nanotechnol. 2026, 17, 697–736, doi:10.3762/bjnano.17.49

• three metals (Zn2+, Pb2+, and Fe3+) from the aqueous phase using AgNPs immobilised on banana leaf powder [96]. The study reported that pH-dependent metal adsorption capacities (190, 244, and 288 mg/g) and removal efficiencies (79, 88, and 91%) were achieved for Zn2+, Pb2+, and Fe3+ within 40 min of

• using an Ag-modified (CeO2–Al2O3) nanocomposite, achieving oxidation rates of 96% and 98%, respectively. Additionally, the reaction selectivity exceeded 97%. The relative humidity enhanced gas-phase photolysis in the presence of UV [168]. Bifunctional zeolite-Ag catalysts (ZSM-5||Ag/γ-Al2O3) showed 100

Decontamination from water pollutants and pathogens by electrospun nanofibers doped with heavy-atom-free borafluorene-BODIPY photosensitizers

• Angelika Zaszczyńska,
• Paulina H. Marek-Urban,
• Karolina Wrochna,
• Agnieszka E. Kuklewska,
• Kacper Kręgielewski,
• Marta Grodzik,
• Dawid R. Natkowski,
• Jolanta Mierzejewska,
• Ewa Iwanek,
• Agata Blacha-Grzechnik,
• Paweł Sajkiewicz and
• Krzysztof Durka

Beilstein J. Nanotechnol. 2026, 17, 668–682, doi:10.3762/bjnano.17.46

• work of photocatalyst. After irradiation, the liquid phase was removed from the vial, the material was washed with distilled water, dried under reduced pressure (1 mbar, 25 °C, 1 h), and used in the next run without any additional treatment. Figure 11 shows some oscillations in the decomposition rates

• , and the combined water phase was extracted with CHCl3 followed by UV–vis spectroscopy measurements. Each experiment was repeated four times. Our results show that the average daily BODIPY leaching is below 0.1%, confirming the good compatibility of 1 and PCL. Photoinactivation of microbes Finally, we

Two-step laser synthesis of Ag@TiO₂ nanomaterials for the photocatalytic degradation of rhodamine B

• Marija Kovačević,
• Miloš Tošić,
• Rafaela Radičić,
• Vladimir Rajić,
• Nikša Krstulović,
• Miloš Momčilović and
• Sanja Živković

Beilstein J. Nanotechnol. 2026, 17, 622–634, doi:10.3762/bjnano.17.43

• UV–vis spectroscopy confirmed the formation of nanoparticles with a predominantly anatase TiO2 phase. The synthesized particles exhibited spherical morphology, with average diameters ranging from 97–331 nm for the 200p sample and 86–144 nm for the 2000p sample. The photocatalytic efficiency was

• the samples is mainly governed by the TiO2 phase. In addition, mapping pictures of Ti, O, and Ag were collected, as well as STEM/HAADF micrographs of the Ag@TiO2 NPs samples that had been manufactured (Figure 5). A regular distribution of titanium (yellow) and oxygen (red) elements can be seen within

• and activity of Ag@TiO2 composites, which is in agreement with previous reports on laser-synthesized Ag-TiO2 systems [16]. Conclusion This study confirms that dual-laser synthesis (PLD combined with PLAL) effectively produces high-purity Ag@TiO2 nanoparticles with a crystalline anatase phase and

Recent progress in enhancing built-in electric fields of perovskite solar cells via junction engineering

• Tong Xiao and
• Ke Xu

Beilstein J. Nanotechnol. 2026, 17, 602–621, doi:10.3762/bjnano.17.42

• transport. By contrast, 2D/3D heterojunctions exploit interfacial dipole formation, intrinsic polarization, and phase-penetration effects to amplify and homogenize the BEF, while simultaneously improving energy-level alignment and defect passivation. We systematically compare these strategies within a

• aligning energy levels [16]. These advantages have established heterojunctions as a major research hotspot, with current efforts shifting from simple passivation to deliberate interfacial potential design [17]. Nevertheless, the impact of phase penetration depth, residual strain, and bulk inhomogeneity on

• and surface modification, they enhance the BEF, reduce interfacial defects, and prevent degradation. For example, Ag-doped NiOx/NiOx p/p+ homojunctions have been shown to reduce defect clusters and prevent halide ion migration, improving stability. However, challenges like phase separation and ion

Probing tribological evolution in atomically thin MoS₂ at different scales

• Xingzhong Zeng and
• Miao Zhang

Beilstein J. Nanotechnol. 2026, 17, 586–597, doi:10.3762/bjnano.17.40

• layers increases, attributed to the reduced out-of-plane flexibility in thicker films. Critically, we identify the slip distance during the slip phase as a reliable metric for sub-nanoscale stick–slip motion. The slip distance increases with the frequency of sub-nanoscale stick–slip events and exhibits a

• were performed on relatively flat regions of the MoS2 films, and the AFM tip was calibrated to ensure a constant tip radius during all measurements. To quantify the sub-scale slip distance, the slip phase of nanoscale stick–slip motion was first extracted. Then a linear baseline was fitted for the

• scanning distance axis of the slip phase to eliminate the slight drift of the AFM scanning system. The slip distance was defined as the projected length of the slip phase segment on the calibrated scanning distance axis (from the start point to the end point of the slip phase). This spatial displacement

Impacts of annealing on structural and photophysical properties of zinc phthalocyanine adsorbed on graphene

• Gautier Creutzer,
• Quentin Fernez,
• Nataliya Kalashnyk,
• Zohreh Safarzadeh,
• Lydia Sosa Vargas,
• Céline Fiorini-Debuisschert,
• Nicolas Fabre and
• Fabrice Charra

Beilstein J. Nanotechnol. 2026, 17, 576–585, doi:10.3762/bjnano.17.39

• -tunneling-microscopy and optical microspectroscopy of a 2D phase change experienced by a self-assembled zinc phthalocyanine (ZnPc) monolayer adsorbed on graphene. To probe the intrinsic properties of individual ZnPc molecules, they are spatially confined within the pores of a self-assembled 2D matrix. This

• confinement allows us to track a phase change induced by annealing, which we discuss in terms of a planar-square to shuttlecock molecular transition. We show that after annealing of the adsorbed ZnPc, the exposition of Zn atoms to reactants in a supernatant solution is improved, for example, for metal-ligand

• treatments, as often shown for example with α and β phases of zinc phthalocyanines (ZnPc), with consequences on molecule orientations relative to the substrate and absorbance efficiency [21] or dynamics of charge migration and charge transfer to substrate [22]. Even inside a given phase, minute structural

Laser–material interactions in liquids for the synthesis of nanomaterials: current status and perspectives

• Carlos Doñate Buendia,
• Bilal Gökce and
• Leonid V. Zhigilei

Beilstein J. Nanotechnol. 2026, 17, 571–575, doi:10.3762/bjnano.17.38

• [33]. Representative examples of this approach include the combination of pump–probe measurements with atomistic simulations to reveal spallation and phase explosion regimes during pulsed laser ablation of Fe–Ni alloys [39], the identification and experimental confirmation of two mechanisms of

• melting to explosive fragmentation of Au nanoparticles under picosecond laser irradiation in water [42]. Further advances in LSPC can be facilitated by data-driven machine learning approaches, which provide new pathways for optimizing synthesis parameters toward targeted size, composition, phase, and

• , productivity, and the degree of control over nanoparticle size, shape, and phase will ultimately determine the most effective strategies. Looking forward, LSPC holds strong promise as a sustainable and environmentally friendly approach for nanomaterial production, eliminating the need for hazardous precursors

Synthesis of Cu–Mo/TiO₂ and Co–Mo/TiO₂ photocatalysts for the efficient degradation of organic pollutants in water

• Ilse Acosta,
• Brenda Zermeño,
• Edgar Moctezuma,
• Luis F. Garay-Rodríguez and
• Isaías Juárez-Ramírez

Beilstein J. Nanotechnol. 2026, 17, 559–570, doi:10.3762/bjnano.17.37

• , copper and cobalt, were added at 0.2–0.5 wt %. The co-doped TiO2 photocatalysts were characterized by XRD, SEM, N2 physisorption, UV–vis diffuse reflectance spectroscopy, and photoluminescence spectroscopy. The structural characterization showed stabilization of the anatase phase, and lattice distortion

• patterns of TiO2 and the co-doped TiO2 materials prepared by the sol–gel method. The sample TiO2 shows the crystalline structures anatase and rutile according to the crystallographic cards CPDS 121 and 4031 [25][26], respectively. The composition of each phase was determined using the MAUD software

• , resulting in 53% and 47% for the anatase and rutile phases, respectively. Figure 1a also shows the diffraction pattern of the 0.5 Mo/TiO2 material, which revealed that the Mo in-situ incorporation into the TiO2 stabilizes the anatase phase. All co-doped TiO2 materials exhibit diffraction peaks corresponding

Electrochemical determination of ciprofloxacin using a MIL-101/reduced graphene oxide-modified electrode

• Nguyen Quang Man,
• Nguyen Ngoc Nghia,
• Nguyen Vinh Phu,
• Vo Thi Khanh Ly,
• Le Lam Son,
• Pham Khac Lieu,
• Le Thi Hong Phong,
• Nguyen Dinh Luyen and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2026, 17, 541–554, doi:10.3762/bjnano.17.35

• affordable analytical methods for detecting ciprofloxacin is very important. Conventional analytical techniques for CPR determination, including a fluorescence sensor based on CsPbBr3 quantum dots embedded in a molecularly imprinted polymer [5], and ultrasound-assisted magnetic dispersive micro-solid phase

• that the crystalline framework of MIL-101 remains intact after mixing with rGO, regardless of the mass ratio. Meanwhile, the broad diffraction feature associated with rGO becomes more prominent with increasing rGO content, reflecting the growing contribution of the disordered graphitic phase. The XRD

• Raman response of the carbon phase. The ID/IG ratios of the composites range from 0.89 to 0.94, depending on the rGO content. Notably, these values are slightly lower than that of pure rGO, suggesting that the incorporation of MIL-101 can partially promote better ordering of sp2 domains through

Fractional shot noise of an SU(N) Kondo system

• Damian Krychowski and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2026, 17, 515–540, doi:10.3762/bjnano.17.34

• elastically on the Kondo resonance. SBMFA correctly describes spin or pseudospin fluctuations in the unitary regime. In the large, infinite-N limit, this description of the SU(N) Kondo effect is exact. For finite N, however, apart from elastic scattering of quasiparticles described by energy-dependent phase

• (1 − ) describe reduction of noise with respect to Poisson noise. The transmission is determined by the phase shift consequently, the linear conductance and linear noise ratio are given by: The linear zero-temperature Fano factor F0 reads: for the fully degenerate case, where all single-channel

• Figure 6 below, we present (TK + T)χN. In the low-temperature limit, T → 0, it reaches the characteristic value: TKχN depends on the degree of degeneration N and the charge (via the phase shift of δν), where (TK + T)χN = . This measurable quantity provides information about the residual interaction of

Probing internal continua and atomic ultrafast charge transfer within size-controlled nanoparticles by post-collision interaction in core-hole clock spectroscopy

• Johannes Lütgert,
• Erika Giangrisostomi,
• Nomi L. A. N. Sorgenfrei and
• Alexander Föhlisch

Beilstein J. Nanotechnol. 2026, 17, 505–514, doi:10.3762/bjnano.17.33

• , molecules, and gas-phase systems, leading to successful theoretical descriptions [36][37]. While these approaches allow one to derive the line shapes solely based on the kinematics of electron–electron interactions, the situation is more complex in condensed matter. The overall electron distribution can

Defects and defect-mediated engineering of two-dimensional materials: challenges and open questions

• Arkady V. Krasheninnikov,
• Matthias Batzill,
• Anouar-Akacha Delenda,
• Marija Drndić,
• Chris Ewels,
• Katharina J. Franke,
• Mahdi Ghorbani-Asl,
• Alexander Holleitner,
• Ado Jorio,
• Ute Kaiser,
• Daria Kieczka,
• Hannu-Pekka Komsa,
• Jani Kotakoski,
• Manuel Längle,
• David Lamprecht,
• Yun Liu,
• Steven G. Louie,
• Janina Maultzsch,
• Thomas Michely,
• Katherine Milton,
• Anna Niggas,
• Hanako Okuno,
• Joshua A. Robinson,
• Marika Schleberger,
• Bruno Schuler,
• Alexander Shluger,
• Kazu Suenaga,
• Kristian S. Thygesen,
• Richard A. Wilhelm,
• E. Harriet Åhlgren and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2026, 17, 454–488, doi:10.3762/bjnano.17.31

• and temperature) over a wide range. An alternative, and possibly more accessible for monolayer materials, is to control defect concentrations by post-growth processing in controlled atmosphere of chalcogens (or other volatile components of 2D materials) and temperatures. Equilibration of the gas phase

• phase diagram based on the D/G ratio and the G band linewidth to disentangle and quantify the amount of point and line defects in graphene (Figure 6) [114]. We have not achieved, so far, the capability to image the atomic structure of the defects with Raman spectroscopy. Even nano-Raman still lacks

Nanocarrier-integrated multilayer films produced by 3D printing for improved skin adhesion and curcumin photostability

• Thayse Viana de Oliveira,
• Ana Paula Farias Leão,
• Júlia Leão,
• Cesar Liberato Petzhold and
• Ruy Carlos Ruver Beck

Beilstein J. Nanotechnol. 2026, 17, 440–453, doi:10.3762/bjnano.17.30

• consists of polymers, solvents, and excipients blended at an optimal ratio; the mixture should not be overly viscous to enable efficient extrusion from the syringe tip, but it must also not be too fluid in order to support the weight of each subsequent layer. After extrusion, a post-printing drying phase

• phase composed of 0.010 g of curcumin, 0.1 g of PCL, 27 mL of acetone, 0.0390 g of sorbitan monooleate and 165 µL of grape seed oil, under magnetic stirring at approximately 400 rpm for 4 h at 40 °C. After complete solubilisation of all components, the organic phase was combined by pouring it into the

• aqueous phase under moderate stirring (the temperature and agitation speed parameters were the same as those of the organic phase). The aqueous phase was composed of 0.077 g of polysorbate 80 and 54 mL of ultrapure water. Acetone was removed under reduced pressure, and the resulting suspensions were

First-principles study on elastic properties of Cu, (Cu_1−x,Ni_x)₃Sn and interfacial mechanical properties of (Cu_1−x,Ni_x)₃Sn/Cu in the lead-free solder joint

• Guomin Hua

Beilstein J. Nanotechnol. 2026, 17, 428–439, doi:10.3762/bjnano.17.29

• efficiency without losing the accuracy by reducing the model size of the alloy systems. Considering the phase stability of (CuxNi1−x)3Sn [22], the content of Ni was set within the range from 0 to 30 atom %. As far as the calculations of the structure optimizations and elastic properties are concerned, a

Biomimetic nanoparticles in cancer photodynamic therapy: a review of targeted delivery systems and therapeutic outcomes

• Valentina I. Gorbacheva,
• Alexey S. Grabovoy,
• Polina S. Marukhina,
• Anastasiia O. Syrocheva and
• Ekaterina P. Kolesova

Beilstein J. Nanotechnol. 2026, 17, 396–422, doi:10.3762/bjnano.17.27

Eco-efficient materials for agricultural crops based on a mineral rich in MOR- and HEU-type zeolites

• Esperanza Yamile de la Nuez-Pantoja,
• Inocente Rodríguez-Iznaga,
• Gerardo Rodríguez-Fuentes,
• Vitalii Petranovskii,
• Ariel Martínez García,
• José Juan Calvino Gámez and
• Daniel Goma Jiménez

Beilstein J. Nanotechnol. 2026, 17, 381–395, doi:10.3762/bjnano.17.26

• key role in its interaction with various chemical species, which affects the behaviour of the resulting material. In general, due to the peculiarities of geochemical processes, only one main zeolitic phase is usually formed during the formation of zeolite deposits. This main phase coexists with other

• to those found in MORs exchanged with ammonium, including natural [23] and synthetic [24][25] ones. These results may be related to the higher NH4+ content in the cation exchange sites in the MOR channels contained in the San Andres zeolitic mineral. In this natural zeolite (CLIM), the MOR phase

• the zeolitic phase (a mixture of HEU and MOR) and Mn+ are their natural cations (Ca2+, Na+, K+, Mg2+). The subscripts (s) and (aq) denote “in zeolite” and “in solution,” respectively; n can take integer values from 1 to 2. In contrast, phosphorus is superficially retained in the form of PO43

Beam shaping techniques for pulsed laser ablation in liquids: Unlocking tunable control of nanoparticle synthesis in liquids

• Sergio Molina-Prados,
• Nadezhda M. Bulgakova,
• Alexander V. Bulgakov,
• Jesus Lancis,
• Gladys Mínguez Vega and
• Carlos Doñate-Buendia

Beilstein J. Nanotechnol. 2026, 17, 309–342, doi:10.3762/bjnano.17.22

• indeed eco-friendly and offer advantages like low toxicity and reduced environmental impact; however, they generally offer less control over NP properties. Moreover, other physical methods such as milling, pyrolysis, sputtering, and arc discharge, or gas-phase processes such as flame spray pyrolysis or

• tuning NP size, crystallinity, defects, and optical properties. Conventional batch PLAL setups often exhibit lower productivity than large-scale chemical or gas-phase syntheses; however, recent advances using megahertz-repetition-rate lasers and continuous-flow configurations have significantly increased

• environment [9]. The early stages of laser ablation, along with variations in material density, temperature, and phase states, can be effectively modelled using large-scale atomistic simulations [26][27]. PLAL is a simple, fast, and versatile technique that has been employed to produce ligand-free NPs [28

Advancing nanolithography: a comprehensive review of materials for local anodic oxidation with AFM

• Matteo Lorenzoni

Beilstein J. Nanotechnol. 2026, 17, 275–291, doi:10.3762/bjnano.17.19

• of MoTe2 in both its semiconducting (2H) and semi-metallic (1T′) phases using a tip-based lithographic approach; examples of such patterns are shown in Figure 5d–f. The method does not induce measurable phase transitions, preserving the intrinsic material properties and is, therefore, suitable for

Multilayered hyperbolic Au/TiO₂ nanostructures for enhancing the nonlinear response around the epsilon-near-zero point

• Fernando Arturo Araiza-Sixtos,
• Mauricio Gomez-Robles,
• Rafael Salas-Montiel and
• Raúl Rangel-Rojo

Beilstein J. Nanotechnol. 2026, 17, 251–261, doi:10.3762/bjnano.17.17

• that, with the right manipulation of the geometry, we are able to make the electric permittivity near zero (“epsilon near zero”, ENZ). The ENZ point causes light to travel through the medium with constant phase, it enhances the electric field, and it enhances the nonlinear response by combining

• coherently the response generated at different planes within the medium without the need of phase matching [5]. Ideally, we would like these materials not to have linear absorption, which prevents the full exploitation of these properties. The presence of linear absorption means that ℑ{ε} ≠ 0, which

Comparative study on 3D morphologies of delignified, single tracheids and fibers of five wood species

• Helen Gorges,
• Felicitas von Usslar,
• Cordt Zollfrank,
• Silja Flenner,
• Imke Greving,
• Martin Müller,
• Clemens F. Schaber,
• Chuchu Li and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2026, 17, 239–250, doi:10.3762/bjnano.17.16

• tomography setup at the nanotomography endstation of beamline P05 of PETRA III at Deutsches Elektronen-Synchrotron (DESY). The X-ray beam was monochromatized using a Si(111) double crystal monochromator at an energy of 11 keV with a Zernike phase contrast [29]. An X-ray sCMOS camera (Hamamatsu C12849-101U

• , Pdet = 6.5 µm pixel size, 2048 × 2048 pixel, 16 bit image depth) with a 10 µm Gadox scintillator was used as the detector. For high-contrast and low-dose imaging, holotomography was applied as the phase contrast technique. Here, a gold Fresnel zone plate with a diameter of 300 µm was used [30]. By

• tomograms. The most representative examples without obvious deformations (16 tomograms: spruce n = 4, beech n = 2, balsa n = 4, Douglas fir n = 2, and poplar n = 4) were selected for presentation. The phase retrieval was performed using HoloTomoToolbox [31], while the tomographic reconstruction was

Structure-dependent thermochromism of PAZO thin films: theory and experiment

• Georgi Mateev,
• Dean Dimov,
• Nataliya Berberova-Buhova,
• Nikoleta Kircheva,
• Todor Dudev,
• Ludmila Nikolova,
• Elena Stoykova,
• Keehoon Hong,
• Dimana Nazarova,
• Silvia Angelova and
• Lian Nedelchev

Beilstein J. Nanotechnol. 2026, 17, 186–199, doi:10.3762/bjnano.17.12

• be a new phase of PAZO transformation. Finally, the last three spectra in Figure 2B show how after reaching the maximum heating temperature of 300 °C and subsequent cooling to r.t., the spectrum remains relatively unchanged for a short time. It should be noted that the polymer retains its ability to

• calculations at r.t. for dimer formation reactions reveal that, from the thermodynamic point of view, the formation of a–d dimers is possible, the reactions are characterized by negative values of Gibbs energies ranging from −24.3 to −9.3 kcal·mol−1 in the gas phase, and from −10.8 to −3.7 kcal·mol−1 in

• ΔEel, ΔEth, PΔV (work term), and ΔS between the products and reactants were used to evaluate the gas-phase free energy of the supramolecular complex formation/aggregation, ΔG1, at T = 298.15 K according to: Solvation effects were accounted for by employing the solvation model based on density (SMD) [31