Adsorption bond length for H₂O on TiO₂(110): A key parameter for theoretical understanding

Scanned-energy mode photoelectron diffraction results show the adsorption site of molecular water on TiO2(110) to be atop under-coordinated surface Ti atoms, confirming the results of total energy calculations and STM imaging. However, the Ti-Owater bond length is 2.21±0.02 Å, much longer than Ti-O bond lengths in strongly chemisorbed species on this surface, but significantly shorter than found in most total energy calculations. The need for theory to describe this weak bond effectively may be a key factor in the controversial problem of understanding this important surface reaction system

Implantação de minibibliotecas escolares: uma iniciativa da Embrapa para agricultores familiares.

A velocidade com que a informação é gerada transforma rapidamente as sociedades. Aqueles que não tem acesso à informação são marginalizados do processo de desenvolvimento social, econômico e tecnológico. Essa distribuição injusta das oportunidades é o ponto de partida da nossa discussão. Nosso foco são as escolas públicas rurais enquanto espaços ?privilegiados? de promoção da inclusão social. O presente artigo apresentará uma análise da experiência de implantação de Minibibliotecas Escolares no Semi-Árido Brasileiro, atualmente com 440 escolas participantes. Disponibiliza também os resultados de uma pesquisa de avaliação realizada entre novembro de 2006 e fevereiro de 2007, com as escolas participantes do projeto. Esses procedimentos fazem parte das ações da Embrapa no Programa Fome Zero desenvolvidas desde 2004, com o intuito de propiciar o repasse de informações e a gestão tecnológica através das escolas da área rural

Photoelectron diffraction: from phenomenological demonstration to practical tool

The potential of photoelectron diffraction—exploiting the coherent interference of directly-emitted and elastically scattered components of the photoelectron wavefield emitted from a core level of a surface atom to obtain structural information—was first appreciated in the 1970s. The first demonstrations of the effect were published towards the end of that decade, but the method has now entered the mainstream armoury of surface structure determination. This short review has two objectives: First, to outline the way that the idea emerged and the way this evolved in my own collaboration with Neville Smith and his colleagues at Bell Labs in the early years: Second, to provide some insight into the current state-of-the art in application of (scanned-energy mode) photoelectron diffraction to address two key issue in quantitative surface structure determination, namely, complexity and precision. In this regard a particularly powerful aspect of photoelectron diffraction is its elemental and chemical-state specificity

The local adsorption structure of benzene on Si(001)-(2 × 1): a photoelectron diffraction investigation

Scanned-energy mode C 1s photoelectron diffraction has been used to investigate the local adsorption geometry of benzene on Si(001) at saturation coverage and room temperature. The results show that two different local bonding geometries coexist, namely the 'standard butterfly' (SB) and 'tilted bridge' (TB) forms, with a composition of 58 ± 29% of the SB species. Detailed structural parameter values are presented for both species including Si–C bond lengths. On the basis of published measurements of the rate of conversion of the SB to the TB form on this surface, we estimate that the timescale of our experiment is sufficient for achieving equilibrium, and in this case our results indicate that the difference in the Gibbs free energy of adsorption, ΔG(TB)−ΔG(SB), is in the range −0.023 to +0.049 eV. We suggest, however, that the relative concentration of the two species may also be influenced by a combination of steric effects influencing the kinetics, and a sensitivity of the adsorption energies of the adsorbed SB and TB forms to the nature of the surrounding benzene molecules

Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1×1) surface

The surface relaxations of the rutile TiO2(110)(1×1) clean surface have been determined by O 1 s and Ti 2p3∕2 scanned-energy mode photoelectron diffraction. The results are in excellent agreement with recent low-energy electron diffraction (LEED) and medium energy ion scattering (MEIS) results, but in conflict with the results of some earlier investigations including one by surface x-ray diffraction. In particular, the bridging O atoms at the surface are found to relax outward, rather than inward, relative to the underlying bulk. Combined with the recent LEED and MEIS results, a consistent picture of the structure of this surface is provided. While the results of the most recent theoretical total-energy calculations are qualitatively consistent with this experimental consensus, significant quantitative differences remain

Informe de SITUACIÓN FITOSANITARIA - Región Centro Norte de Córdoba 22 de Marzo de 2014

Como avisáramos en el anterior informe, las enfermedades más importantes de los dos cultivos avanzaron de manera muy marcada en estos últimos días, se debe estar muy atento para no tener sorpresas. El caso más importante es el tizón de maíz, que avanza de manera agresiva

Informe de SITUACIÓN FITOSANITARIA - Región Centro Norte de Córdoba 19 de Diciembrede 2013

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The local structure of molecular reaction intermediates at surfaces

A critical review is presented of the results of (experimental) quantitative structural studies of molecular reaction intermediates at surfaces; i.e. molecular species that do not exist naturally in the gas phase and, in most cases, are implicated in surface catalytic processes. A brief review of the main experimental methods that have contributed to this area is followed by a summary of the main results. Investigated species include: carboxylates, RCOO– (particularly formate, but also deprotonated amino acids); methoxy, CH3O–; carbonate, CO3; ethylidyne, CH3C–; NHx and SOx species; cyanide, CN. As far as possible in the limited range of systems studied, a few general trends are identified

Informe de SITUACIÓN FITOSANITARIA - Región Centro Norte de Córdoba 17 de Marzo de 2015

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