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Register a new userControl of Intermolecular Bonds by Deposition Rates at Room Temperature: Hydrogen Bonds versus Metal Coordination in Trinitrile Monolayers
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Self-assembled monolayers of 1,3,5-tris(4-biphenyl-4-carbonitrile)benzene, a large functional trinitrile molecule, on the (111) surfaces of copper and silver under ultrahigh vacuum conditions were studied by scanning tunneling microscopy and low-energy electron diffraction. A densely packed hydrogen-bonded polymorph was equally observed on both surfaces. Additionally, deposition onto Cu(111) yielded a well-ordered metal-coordinated porous polymorph that coexisted with the hydrogen-bonded structure. The required coordination centers were supplied by the adatom gas of the Cu(111) surface. On Ag(111), however, the well-ordered metal-coordinated network was not observed. Differences between the adatom reactivities on copper and silver and the resulting bond strengths of the respective coordination bonds are held responsible for this substrate dependence. By utilizing ultralow deposition rates, we demonstrate that on Cu(111) the adatom kinetics plays a decisive role in the expression of intermolecular bonds and hence structure selection.
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KH2PO4 (KDP) belongs to the class of hydrogen-bonded ferroelectrics, whose paraelectric to ferroelectric phase transition is driven by the ordering of the protons in the hydrogen bonds. We demonstrate that forbidden reflections of KDP, when measured at an x-ray absorption edge, are highly sensitive to the asymmetry of proton configurations. The change of average symmetry caused by the freezing of the protons during the phase transition is clearly evidenced. In the paraelectric phase, we identify in the resonant spectra of the forbidden reflections a contribution related to the transient proton configurations in the hydrogen bonds, which violates the high average symmetry of the sites of the resonant atoms. The analysis of the temperature dependence reveals a change of relative probabilities of the different proton configurations. They follow the Arrhenius law, and the activation energies of polar and Slater configurations are 18.6 and 7.3 meV, respectively.
The failure of adhesive bondlines has been studied at the microscopic level via tensile tests. Stable crack propagation could be generated by means of samples with improved geometry, which made in-situ observations possible. The interaction of cracks with adhesive bondlines under various angles to the crack propagation was the focus of this study as well as the respective loading situations for the adhesives UF, PUR, and PVAc, which have distinctly different mechanical behaviors. It is shown how adhesive properties influence the occurrence of certain failure mechanisms and determine their appearance and order of magnitude. With the observed failure mechanisms, it becomes possible to predict the propagation path of a crack through the specimen.
By employing first-principles metadynamics simulations, we explore the 300 K structures of solid hydrogen over the pressure range 150-300 GPa. At 200 GPa, we find the ambient-pressure disordered hexagonal close-packed (hcp) phase transited into an insulating partially ordered hcp phase (po-hcp), a mixture of ordered graphene-like H2 layers and the other layers of weakly coupled, disordered H2 molecules. Within this phase, hydrogen remains in paired states with creation of shorter intra-molecular bonds, which are responsible for the very high experimental Raman peak above 4000 cm-1. At 275 GPa, our simulations predicted a transformation from po-hcp into the ordered molecular metallic Cmca phase (4 molecules/cell) that was previously proposed to be stable only above 400 GPa. Gibbs free energy calculations at 300 K confirmed the energetic stabilities of the po-hcp and metallic Cmca phases over all known structures at 220-242 GPa and >242 GPa, respectively. Our simulations highlighted the major role played by temperature in tuning the phase stabilities and provided theoretical support for claimed metallization of solid hydrogen below 300 GPa at 300 K.
Chromia (Cr2O3) has been extensively explored for the purpose of developing widespread industrial applications, owing to the convergence of a variety of mechanical, physical and chemical properties in one single oxide material. Various methods have been used for large area synthesis of Cr2O3 films. However, for selective area growth and growth on thermally sensitive materials, laser-assisted chemical vapour deposition (LCVD) can be applied advantageously. Here we report on the growth of single layers of pure Cr2O3 onto sapphire substrates at room temperature by low pressure photolytic LCVD, using UV laser radiation and Cr(CO)6 as chromium precursor. The feasibility of the LCVD technique to access selective area deposition of chromia thin films is demonstrated. Best results were obtained for a laser fluence of 120 mJ cm-2 and a partial pressure ratio of O2 to Cr(CO)6 of 1.0. Samples grown with these experimental parameters are polycrystalline and their microstructure is characterised by a high density of particles whose size follows a lognormal distribution. Deposition rates of 0.1 nm s-1 and mean particle sizes of 1.85 {mu}m were measured for these films.
We present a x-ray dichroism study of graphite surfaces that addresses the origin and magnitude of ferromagnetism in metal-free carbon. We find that, in addition to carbon $pi$ states, also hydrogen-mediated electronic states exhibit a net spin polarization with significant magnetic remanence at room temperature. The observed magnetism is restricted to the top $approx$10 nm of the irradiated sample where the actual magnetization reaches $ simeq 15$ emu/g at room temperature. We prove that the ferromagnetism found in metal-free untreated graphite is intrinsic and has a similar origin as the one found in proton bombarded graphite.
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