Electronic tailoring of graphene nanostructures via on-surface synthesis

121 p.Esta tesis presenta un estudio exhaustivo de las propiedades electrónicas de diversas clases de nanocintas de grafeno (GNRs) producidas mediante métodos de síntesis en superficie de oro. El estudio de estas cintas ha sido realizado mediante Microscopía y Espectroscopía de Efecto Túnel a bajas temperaturas (LT-STM/STS) y en condiciones de ultra alto vacío. Otros resultados adicionales fueron obtenidos mediante cálculos ab initio de Teoría del Funcional de la Densidad (DFT), en el grupo del Prof. DanielSánchez-Portal. Los nuevos precursores moleculares usados en esta tesis fueron sintetizados por el grupo del Prof. Diego Peña y el grupo de Yamaguchi-Sensei.Para conseguir un alto grado de control en la estructura de los GNRs, crecemos nuestras cintas usando precursores moleculares específicamente diseñados para actuar como bloques básicos de construcción. Las nanocintas resultantes, con una estructura precisa a la escala atómica, se obtienen mediante la activación de reacciones catalizadas por la superficie, típicamente oro. Este método de síntesis en superficie ha producido sistemas modelo que facilitaron el estudio de las propiedades electrónicas de las nanocintas de grafeno armchair de ancho 7 (7-AGNRs), dos especies de 7-AGNR modificados químicamente y nanocintas híbridas crecidas mediante la combinación de secciones prístinas y secciones modificadas con boro.CICnanoGUN

Electronic tailoring of graphene nanostructures via on-surface synthesis

121 p.Esta tesis presenta un estudio exhaustivo de las propiedades electrónicas de diversas clases de nanocintas de grafeno (GNRs) producidas mediante métodos de síntesis en superficie de oro. El estudio de estas cintas ha sido realizado mediante Microscopía y Espectroscopía de Efecto Túnel a bajas temperaturas (LT-STM/STS) y en condiciones de ultra alto vacío. Otros resultados adicionales fueron obtenidos mediante cálculos ab initio de Teoría del Funcional de la Densidad (DFT), en el grupo del Prof. DanielSánchez-Portal. Los nuevos precursores moleculares usados en esta tesis fueron sintetizados por el grupo del Prof. Diego Peña y el grupo de Yamaguchi-Sensei.Para conseguir un alto grado de control en la estructura de los GNRs, crecemos nuestras cintas usando precursores moleculares específicamente diseñados para actuar como bloques básicos de construcción. Las nanocintas resultantes, con una estructura precisa a la escala atómica, se obtienen mediante la activación de reacciones catalizadas por la superficie, típicamente oro. Este método de síntesis en superficie ha producido sistemas modelo que facilitaron el estudio de las propiedades electrónicas de las nanocintas de grafeno armchair de ancho 7 (7-AGNRs), dos especies de 7-AGNR modificados químicamente y nanocintas híbridas crecidas mediante la combinación de secciones prístinas y secciones modificadas con boro.CICnanoGUN

Joint interpretation of magnetotelluric, seismic, and well-log data in Hontomín (Spain)

Acknowledgements. This work is dedicated to the memory of Andrés Pérez-Estaún, brilliant scientist, colleague, and friend. The authors sincerely thank Ian Ferguson and an anonymous reviewer for their useful comments on the manuscript. Xènia Ogaya is currently supported in the Dublin Institute for Advanced Studies by a Science Foundation Ireland grant IRECCSEM (SFI grant 12/IP/1313). Juan Alcalde is funded by NERC grant NE/M007251/1, on interpretational uncertainty. Juanjo Ledo, Pilar Queralt and Alex Marcuello thank Ministerio de Economía y Competitividad and EU Feder Funds through grant CGL2014- 54118-C2-1-R. Funding for this Project has been partially provided by the Spanish Ministry of Industry, Tourism and Trade, through the CIUDEN-CSIC-Inst. Jaume Almera agreement (ALM-09-027: Characterization, Development and Validation of Seismic Techniques applied to CO2 Geological Storage Sites), the CIUDEN-Fundació Bosch i Gimpera agreement (ALM-09-009 Development and Adaptation of Electromagnetic techniques: Characterisation of Storage Sites) and the project PIERCO2 (Progress In Electromagnetic Research for CO2 geological reservoirs CGL2009-07604). The CIUDEN project is co-financed by the European Union through the Technological Development Plant of Compostilla OXYCFB300 Project (European Energy Programme for Recovery).Peer reviewedPublisher PD

Self-adaptive OmpSs tasks in heterogeneous environments

As new heterogeneous systems and hardware accelerators appear, high performance computers can reach a higher level of computational power. Nevertheless, this does not come for free: the more heterogeneity the system presents, the more complex becomes the programming task in terms of resource management. OmpSs is a task-based programming model and framework focused on the runtime exploitation of parallelism from annotated sequential applications. This paper presents a set of extensions to this framework: we show how the application programmer can expose different specialized versions of tasks (i.e. pieces of specific code targeted and optimized for a particular architecture) and how the system can choose between these versions at runtime to obtain the best performance achievable for the given application. From the results obtained in a multi-GPU system, we prove that our proposal gives flexibility to application's source code and can potentially increase application's performance.This work has been supported by the European Commission through the ENCORE project (FP7-248647), the TERAFLUX project (FP7-249013), the TEXT project (FP7-261580), the HiPEAC-3 Network of Excellence (FP7-ICT 287759), the Intel-BSC Exascale Lab collaboration project, the support of the Spanish Ministry of Education (CSD2007- 00050 and FPU program), the projects of Computación de Altas Prestaciones V and VI (TIN2007-60625, TIN2012-34557) and the Generalitat de Catalunya (2009-SGR-980).Peer ReviewedPostprint (author’s final draft

Basement structure of the Hontomín CO2 storage site (Spain) determined by integration of microgravity and 3-D seismic data

A multidisciplinary study has been carried out in Hontomín (Spain) to determine the basement structural setting, its geometry and the geometry of the sedimentary succession of an area aimed to be the first Spanish pilot plant for CO2 storage. An integration of coincident 3-D seismic results, borehole data and unpublished microgravity data were used to reproduce the deep structure and topography of the basement and to quantify the thickness of the Triassic Keuper evaporites. The subsurface structure is characterized by a half-graben setting filled with Keuper evaporites (up to 2000m thick), forming an extensional forced fold. All data sets clearly identify two main fault systems, compartmentalizing the main structural domain into three differentiated blocks. These faults have been interpreted to be reactivated normal faults that have led to the formation of the Hontomín dome. © Author(s) 2016.The data sets in this work have been funded by Fundación Ciudad de la Energía (Spanish Government, www.ciuden.es) and by the European Union through the “European Energy Programme for Recovery” and the Compostilla OXYCFB300 project. Juan Alcalde is currently funded by NERC grant NE/M007251/1.Peer reviewe

Survival of spin state in magnetic porphyrins contacted by graphene nanoribbons

We report on the construction and magnetic characterization of a fully functional hybrid molecular system composed of a single magnetic porphyrin molecule bonded to graphene nanoribbons with atomically precise contacts. We use on-surface synthesis to direct the hybrid creation by combining two molecular precursors on a gold surface. High-resolution imaging with a scanning tunneling microscope finds that the porphyrin core fuses into the graphene nanoribbons through the formation of new carbon rings at chemically predefined positions. These ensure the stability of the hybrid and the extension of the conjugated character of the ribbon into the molecule. By means of inelastic tunneling spectroscopy, we prove the survival of the magnetic functionality of the contacted porphyrin. The molecular spin appears unaffected by the graphenoid electrodes, and we simply observe that the magnetic anisotropy appears modified depending on the precise structure of the contacts.We acknowledge the financial support from Spanish Agencia Estatal de Investigación (AEI) (project nos. MAT2016-78293-C6 and FIS2015-62538-ERC, and the Maria de Maeztu Units of Excellence Programme MDM-2016-0618), the Basque Government (Department Industry, grant no. PI-2015-1-42), the European project PAMS (610446), the Xunta de Galicia (Centro singular de investigación de Galicia accreditation 2016 to 2019, ED431G/09), the European Research Council (grant agreement no. 635919), and the European Regional Development FundS