اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدSpontaneous Dissociation of Co2(CO)8 and Autocatalytic growth of Co on SiO2 : A Combined Experimental and Theoretical Investigation
145
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We present experimental results and theoretical simulations of the adsorption behavior of the metal-organic precursor Co2(CO)8 on SiO2 surfaces after application of two different pre-treatment steps, namely by air plasma cleaning or a focused electron beam pre-irradiation. We observe a spontaneous dissociation of the precursor molecules as well as auto-deposition of cobalt on the pre-treated SiO2 surfaces. We also find that the differences in metal content and relative stability of these deposits depend on the pre-treatment conditions of the substrate. Transport measurements of these deposits are also presented. We are led to assume that the degree of passivation of the SiO2 surface by hydroxyl groups is an important controlling factor in the dissociation process. Our calculations of various slab settings using dispersion corrected density functional theory support this assumption. We observe physisorption of the precursor molecule on a fully hydroxylated SiO2 surface (untreated surface) and chemisorption on a partially hydroxylated SiO2 surface (pre-treated surface) with a spontaneous dissociation of the precursor molecule. In view of these calculations, we discuss the origin of this dissociation and the subsequent autocatalysis.
قيم البحث
اقرأ أيضاً
Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni$_2$MnGa over the temperature range $100K < T < 250K$. All m
easurements detect clear signatures of the premartensitic transition ($T_mathrm{PM}sim 247K$) and the martensitic transition ($T_mathrm{M} sim 196K$). Temperature-dependent UPS shows a dramatic depletion of states (pseudogap) at $T_mathrm{PM}$ located 0.3eV below the Fermi energy. First-principles electronic structure calculations show that the peak observed at 0.3eV in the UPS spectra for $T > T_mathrm{PM}$ is due to the Ni-d minority-spin electrons. Below $T_mathrm{M}$ this peak disappears, resulting in an enhanced density of states at energies around 0.8eV. This enhancement reflects Ni-d and Mn-d electronic contributions to the majority-spin density of states and is accompanied by significant reconstruction of the Fermi surface.
Pt/Ti metallisation bilayers are used as bottom electrodes for ferroelectric thin films. During deposition of the ferroelectric films, these electrodes are exposed to elevated temperatures causing modifications of the Pt/Ti bottom electrode. Diffusio
n and oxidation of the Ti adhesion layer have been studied by the application of factor analysis to AES depth profile data and by RBS. Factor analysis was employed to extract the chemical information from the measured AES spectra and to derive semiquantitative depth profiles of the identified material compounds. RBS was used to obtain the quantitative depth distribution of the elements. By the combination of both methods, diffusion and oxidation processes were observed and could be precisely describe.
Monolayer molybdenum disulphide (MoS$_2$) is a promising two-dimensional (2D) material for nanoelectronic and optoelectronic applications. The large-area growth of MoS$_2$ has been demonstrated using chemical vapor deposition (CVD) in a wide range of
deposition temperatures from 600 {deg}C to 1000 {deg}C. However, a direct comparison of growth parameters and resulting material properties has not been made so far. Here, we present a systematic experimental and theoretical investigation of optical properties of monolayer MoS$_2$ grown at different temperatures. Micro-Raman and photoluminescence (PL) studies reveal observable inhomogeneities in optical properties of the as-grown single crystalline grains of MoS$_2$. Close examination of the Raman and PL features clearly indicate that growth-induced strain is the main source of distinct optical properties. We carry out density functional theory calculations to describe the interaction of growing MoS$_2$ layers with the growth substrate as the origin of strain. Our work explains the variation of band gap energies of CVD-grown monolayer MoS$_2$, extracted using PL spectroscopy, as a function of deposition temperature. The methodology has general applicability to model and predict the influence of growth conditions on strain in 2D materials.
The magnetic properties of (111)-oriented Rh/Co/Pt and Pd/Co/Pt multilayers are investigated by first-principles calculations. We focus on the interlayer exchange coupling, and identify thicknesses and composition where a typical ferromagnet or a syn
thetic antiferromagnet across the spacer layer is formed. All systems under investigation show a collinear magnetic intralayer order, but the Dzyaloshinskii-Moriya interaction (DMI) is rather strong for Pd-based systems, so that single magnetic skyrmions can be expected. In general, we find a strong sensitivity of the magnetic parameters (especially the DMI) in Rh-based systems, but Pd-based multilayers are less sensitive to structural details.
BaTiO3 is a classical ferroelectric studied for last one century for its ferroelectric properties. Lattice dynamics of BaTiO3 is crucial as the utility of devices is governed by phonons. In this work, we show that traditional characterization of the
polar phonon modes is ambiguous and often misinterpreted. By combining Raman, Neutron and X-ray diffraction, dielectric spectroscopic observations with first principle calculations, we have re-examined the character of the normal modes of phonons of BaTiO3. We obtained Eigen displacements of vibrational modes through DFT calculations and reclassified the polar modes being Slater (Ti-O), Last (Ba-TiO3) and Axe (BO6) vibrations by correlating experimental and theoretical calculations. The study thus provides correct nomenclature of the polar modes along with the evidence of presence of short range polar distortions along (111) directions in all the phases shown by BaTiO3. The Burns temperature and absence of second order contributions have been witnessed in the temperature dependent Raman study.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
