Adsorption of oxygen and oxidation of CO on the ruthenium (001) surface

Madey, Theodore E.; Engelhardt, H.; Menzel, D.

doi:10.1016/0039-6028(75)90409-4

Cited by 394 publications

(219 citation statements)

References 25 publications

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“…4a and b), due to decreased tunneling distance, of about 25 pm at a gap resistance of 500 MΩ. When the concentration of O was around 2 to 5 % of ML patches of (2×2) oxygen structure were found, in agreement with previous results of oxygen on Ru [31,32].…”

Section: Effect Of Oxygen Impuritiessupporting

confidence: 90%

Hydrogen adsorption on Ru(001) studied by scanning tunneling microscopy

et al. 2008

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Section: Effect Of Oxygen Impuritiessupporting

confidence: 90%

Hydrogen adsorption on Ru(001) studied by scanning tunneling microscopy

et al. 2008

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“…In 5#10 -9 Torr of oxygen, the adatom concentration decreases as carbon adatoms react with oxygen to produce CO, which then desorbs 17,18 . From an island's area A and perimeter P, we calculate the speed of the island edge !…”

Section: Graphene Etching On Ru(0001)mentioning

confidence: 99%

Oxidation of Graphene on Metals

2010

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We use low-energy electron microscopy to investigate how graphene is removed from Ru (0001) and Ir(111) by reaction with oxygen. We find two mechanisms on Ru(0001). At short times, oxygen reacts with carbon monomers on the surrounding Ru surface, decreasing their concentration below the equilibrium value. This undersaturation causes a flux of carbon from graphene to the monomer gas. In this initial mechanism, graphene is etched at a rate that is given precisely by the same non-linear dependence on carbon monomer concentration that governs growth. Thus, during both growth and etching, carbon attaches and detaches to graphene as clusters of several carbon atoms. At later times, etching accelerates. We present evidence that this process involves intercalated oxygen, which destabilizes graphene. On Ir, this mechanism creates observable holes. It also occurs mostly quickly near wrinkles in the graphene islands, depends on the orientation of the graphene with respect to the Ir substrate, and, in contrast to the first mechanism, can increase the density of carbon monomers. We also observe that both layers of bilayer graphene islands on Ir etch together, not sequentially.

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“…On doing this, we present a consistent first-principles-based approach for calculation of the thermodynamic and kinetic properties of an adsorbate, such as heats of adsorption, temperature programmed desorption (TPD) spectra, and the surface phase diagram. We have chosen the system of oxygen at Ru(0001) for which detailed structural [4][5][6][7][8][9], thermodynamic [10], and kinetic data [11,12] exist. We will show that, with the present approach, a realistic description of these physical properties is indeed feasible.…”

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confidence: 99%

First-Principles Theory of Surface Thermodynamics and Kinetics

et al. 1999

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Understanding the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain phenomena depend critically on temperature and gas pressure. To link these processes we combine state-of-the-art microscopic, and macroscopic phenomenological, theories. We apply our theory to the O͞Ru(0001) system and calculate thermal desorption spectra, heat of adsorption, and the surface phase diagram. The agreement with experiment provides validity for our approach which thus identifies the way for a predictive simulation of surface thermodynamics and kinetics. PACS numbers: 68.45.Da, 82.65.Dp, 82.65.My The study of the physical and chemical processes that take place at gas-surface interfaces have long been an area of intense research. This interest is both fundamental as well as driven by the possible discovery of important technological applications, e.g., in the field of heterogeneous catalysis, corrosion, etc. [1,2]. With respect to the field of the theory of adsorption of gases on solid surfaces, advancement in recent years has developed in two distinct, albeit complimentary, directions: (i) electronic structure calculations, at best done by density-functional theory (DFT), to determine the geometries, energetics, and vibrational properties of adsorbate covered surfaces, and (ii) phenomenological models, both for the thermodynamics and the kinetics [3] of the adsorbate. If one can assume that the geometry of the solid surface does not change dramatically and that adsorption occurs at well defined sites, one frequently employs a lattice gas model. A number of parameters enter this type of model, such as the binding energies and vibrational frequencies of a single adparticle in the various adsorption sites, and their mutual lateral interactions with adparticles in close-by sites. Traditionally, these parameters are adjusted in the theory in order to fit a variety of experimental data such as phase diagrams, heats of adsorption, infrared spectra, and thermal desorption data, etc. Such an approach, while useful, is clearly not necessarily predictive in nature, nor the parameters unique, and may not capture the physics of the microscopic processes that are behind the "best-fit" adjusted "effective" parameters.In this Letter, with the aim to improve upon this approach, we combine state-of-the-art procedures of (i) microscopic theories, i.e., DFT electronic structure calculations and (ii) macroscopic phenomenological approaches, i.e., lattice gas and rate equations, and Monte Carlo schemes. On doing this, we present a consistent first-principles-based approach for calculation of the thermodynamic and kinetic properties of an adsorbate, such as heats of adsorption, temperature programmed desorption (TPD) spectra, and the surface phase diagram. We have chosen the system of oxygen at Ru(0001) for which detailed structural [4-9], thermodynamic [10], and kinetic data [11,12] exist. We will show that, with the present approach, a realistic description...

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Adsorption of oxygen and oxidation of CO on the ruthenium (001) surface

Cited by 394 publications

References 25 publications

Hydrogen adsorption on Ru(001) studied by scanning tunneling microscopy

Hydrogen adsorption on Ru(001) studied by scanning tunneling microscopy

Oxidation of Graphene on Metals

First-Principles Theory of Surface Thermodynamics and Kinetics

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