Nitrogen induced restructuring of Cu(111) and explosive desorption of N2

Skelly, J.; Bertrams, Th.; Munz, A.W.; Murphy, Martin J.; Hodgson, A.

doi:10.1016/s0039-6028(98)00460-9

Cited by 38 publications

(22 citation statements)

References 29 publications

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“…In fact, in the case of N scattering there is only a small preference for specular scattering. Decreasing Θ i to 40 o (results shown in [51]) leads to a broadening of the specular peak for Ar, as expected. For N-atoms the peak at the specular angle almost disappears.…”

Section: Methodssupporting

confidence: 76%

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Scattering of Hyperthermal Effusive N and N2 Beams at Metal Surfaces

Gleeson

Ueta

Kleyn

2013

Dynamics of Gas-Surface Interactions

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General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. AbstractMolecular beam experiments with specially prepared beams allow the study of the interaction of very reactive species at surfaces. In the present case the focus is primarily on the interaction of N-atoms with surfaces. In this chapter questions that will be addressed include: -What is the scattering pattern and energy transfer of N-atoms at surfaces? -Can adsorption of N-atoms lead to a passive layer that is not reactive to incident N-atoms? -Conversely, can N-atoms remove N-atoms in an Eley-Rideal or hot atom reaction?-Does the electronic state of the atoms matter? -Can the interaction already be described by state-of-time art theory? The methods used will be introduced with examples of fast Ar scattering from Ag(111). Subsequently, the interaction of N-atoms with Ag(111) and Ru(0001) will be discussed in order to address the questions listed above. Some work with N 2 will also be shown. Keywords IntroductionThe fate of a chemical reaction is often determined by the availability of energy and the reactivity of the species involved. Energy, both translational and internal, can allow the reactants to overcome activation barriers and possible endoergicity of the reaction. The most probable path on the potential energy surface describing the reaction is thus governed by availability of energy. Working with excess translational energy limits reaction yields but allows exploration of the nature of the potential energy surfaces involved. Scattering experiments were built to carry out such studies both in gas-phase collisions and in atom/molecule surface collisions. In this chapter we focus on the latter case for experimental studies involving reactive atoms and molecules and we compare these results to similar studies with inert noble gas atoms for calibration.The importance of surface scattering experiments was already realized in the 1970's [1][2][3][4]. From the early work two regimes are identified and the corresponding terms thermal scattering and structure scattering were coined. In the first case the processes are dominated by an energy constraint and the thermal energy of the surface is an important parameter. In addition, parallel momentum conservation applies. In the second case the dynamics at the surf...

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Section: Methodssupporting

confidence: 76%

“…For Ag(111) the knowledge is summarized in [37] and is limited. For Cu and Ru more is known [38][39][40][41][42][43]. In general, the N-atoms reside in three fold hollow sites and are almost inside the metal lattice.…”

Section: Introductionmentioning

confidence: 99%

Scattering of Hyperthermal Effusive N and N2 Beams at Metal Surfaces

Gleeson

Ueta

Kleyn

2013

Dynamics of Gas-Surface Interactions

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“…The heat of formation is calculated with respect to atomic N, to be consistent with experimental studies, 10,20,25,[32][33][34][35][36][37][38] in the sense that the adsorption phases are obtained by N-ion bombardment. Using this equation, the obtained heat of formation is −4.03 eV and this is plotted in Fig.…”

Section: Relative Stability and Nanoparticle Morphologysupporting

confidence: 62%

“…This surface nitride is proposed to consist of nitrogen atoms adsorbed in the fourfold hollow sites of a pseudo-͑100͒ reconstruction of the Cu ͑111͒ surface with a c͑2 ϫ 2͒ periodicity, i.e., a Cu ͑100͒-c͑2 ϫ 2͒-N-like mesh forms over the Cu ͑111͒ substrate. 10,[32][33][34][35][36][37][38] A STM study has proposed that the above-mentioned pseudo-͑100͒ phase on Cu ͑111͒ forms a ͑25ϫ 7 ͱ 3͒ rectangular commensurate layer on the substrate. 10 Our recent DFT study of nitrogen adsorption on Cu ͑111͒ ͑Ref.…”

Section: Introductionmentioning

confidence: 99%

Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation

et al. 2008

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We perform first-principles density-functional-theory calculations to determine the stability and associated physical and electronic properties of different adsorption phases of N on Cu ͑100͒ and Cu ͑110͒ substrates for coverages ranging from 0.125 to 1 monolayer ͑ML͒. For N on Cu ͑100͒, we consider adsorption in fourfold hollow sites while for N on Cu ͑110͒, we consider various adsorption sites including N-induced missing-row surface reconstructions and the surface nitridelike, "pseudo-͑100͒" reconstruction. We report the atomic and electronic structure and compare with analogous results for N/Cu ͑111͒. By combining results from our previous study of the N/Cu ͑111͒ system with the current investigations, we predict the possible morphology of a Cu crystal in different nitrogen environments by performing a Wulff construction at appropriate chemical potentials of nitrogen. We also find that all low-energy N/Cu surface structures-namely, Cu ͑100͒-c͑2 ϫ 2͒-N and the surface nitrides found on Cu ͑110͒ and Cu ͑111͒-share a common geometric feature: i.e., surface nanopatterns resembling 1 atomic layer of Cu 3 N ͑100͒. These nanopatterned structures exist for a narrow range of nitrogen chemical potentials before the onset of bulk Cu 3 N, unless kinetically hindered. This qualitative behavior of the predicted formation of thin-surface nitridelike structures prior to the bulk nitride material is very similar to that for transition-metal surfaces in an oxygen atmosphere, where surface oxidelike structures are predicted to be thermodynamically stable prior to bulk oxide formation.

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“…A different mechanism has been invoked to explain previous observations of explosive desorption in other adsorbate-surface systems, including N/Cu(1 0 0) [35], O/Pd(1 0 0) [36] and O/Pd(1 1 1) [37]. In these cases, species in a dense phase are thought to be ejected from the perimeter of the phase domain onto a dilute phase from which the species then desorb.…”

Section: Oxide Growth and Decompositionmentioning

confidence: 99%