Chemical bonding at surfaces and interfaces [[electronic resource] /] / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov

• Record Nr.: UNINA9910784592603321
• Pubbl/distr/stampa: Amsterdam ; ; Oxford, : Elsevier, 2008
• ISBN: 1-281-03451-7; 9786611034511; 0-08-055191-2
• Descrizione fisica: 1 online resource (533 p.)
• Classificazione: VE 7000
• Altri autori (Persone): NilssonAnders; PetterssonLars; NıorskovJ. K (Jens K.)
• Disciplina: 541.224
• Soggetti: Chemical bonds; Surface chemistry
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: Front Cover; Chemical Bonding at Surfaces and Interfaces; Copyright Page; Table of Contents; Preface; Chapter 1 Surface Structure; 1. Why surface structure?; 2. Methods of surface adsorbate structure determination; 2.1. General comments; 2.2. Electron scattering; 2.3. X-ray scattering; 2.4. Ion scattering; 2.5. Spectroscopic methods and scanning probe microscopy; 3. Adsorbate-induced surface reconstruction; 4. Molecular adsorbates - local sites, orientations and intramolecular bondlengths; 4.1. General issues and the case of CO on metals; 4.2. Simple hydrocarbons on metals; 4.3. Carboxylates on metals4.4. Other substrates: molecules on Si; 5. Chemisorption bondlengths; 5.1. Metal surfaces; 5.2. Oxide surfaces; 6. Conclusions; Chapter 2 Adsorbate Electronic Structure and Bonding on Metal Surfaces; 1. Introduction; 2. Probing the electronic structure; 3. Adsorbate electronic structure and chemical bonding; 4. Adsorbate systems; 5. Radical atomic adsorption; 5.1. The electronic structure of N on Cu(100); 5.2. Chemical bonding of atomic adsorbates; 6. Diatomic molecules; 6.1. N2 adsorbed on Ni(100); 6.2. CO adsorbed on Ni(100); 6.3. CO adsorbed on Cu(100) and other metals6.4. CO adsorbed in ; different sites; 6.5. Coadsorption of CO and K on Ni(100); 7. Unsaturated hydrocarbons; 7.1. Ethylene (C2H4) adsorbed on Ni(110) and Cu(110); 7.2. Benzene on Ni and Cu surfaces; 7.3. Bond energetics and rehybridization from spin-uncoupling; 8. Saturated hydrocarbons; 8.1. n-Octane adsorbed on Cu(110); 8.2. Difference between octane on Ni and Cu surfaces; 9. Lone pair interactions; 9.1. Water adsorption on Pt and Cu surfaces; 9.2. Adsorption of ammonia and the amino group in glycine on Cu(110); 10. Summary; Chapter 3 The Dynamics of Making and Breaking Bonds at Surfaces1. Introduction; 2. Theoretical background; 2.1. Adiabatic dynamics (Born-Oppenheimer approximation); 2.2. Generic PES topologies; 2.3. Dynamics vs. kinetics; 2.3.1. Direct dissociation; 2.3.2. Precursor-mediated dissociation; 2.4. Detailed balance; 2.5. Lattice coupling; 2.5.1. Energy transfer in adsorption/scattering; 2.5.2. Lattice coupling in direct molecular dissociation; 2.6. Non-adiabatic dynamics; 2.6.1. Hot electrons from chemistry; 2.6.2. Chemistry from hot electrons; 3. Experimental background; 3.1. Experimental techniques3.2. Typical measurements; 3.2.1. Rate measurements; 3.2.2. Adsorption-trapping and sticking; 3.2.3. Desorption; 3.2.4. Scattering; 3.2.5. Initial state preparation; 3.2.6. Photochemistry/femtochemistry; 3.2.7. Single molecule chemistry (STM); 4. Processes; 4.1. Atomic adsorption/desorption/scattering; 4.1.1. Ar/Pt(111); 4.1.2. H/Cu(111); 4.2. Molecular adsorption/desorption/scattering; 4.2.1. NO/Ag(111); 4.2.2. NO/Pt(111); 4.3. Direct dissociation/associative desorption; 4.3.1. Activated dissociation; 4.3.2. Weakly activated dissociation; 4.3.3. Non-activated dissociation
• Sommario/riassunto: Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the i