Listar INAM_Articles por título

Mostrando ítems 362-381 de 503

    • openAccess   QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate 

      Boneta, Sergio; Arafet Cruz, Kemel; Moliner, Vicent American Chemical Society (2021-06-04)
      The environmental problems derived from the generalized plastic consumption and disposal could find a friendly solution in enzymatic biodegradation. Recently, two hydrolases from Ideonella sakaiensis 201-F6 and the ...

    • openAccess   QMCube (QM3): An all‐purpose suite for multiscale QM/MM calculations 

      Martí, Sergio Wiley (2020-12-18)
      QMCube (QM3) is a suite written in the Python programming language, initially focused on multiscale QM/MM simulations of biological systems, but open enough to address other kinds of problems. It allows the user to combine ...

    • openAccess   Quantification of bio-anode capacitance in bioelectrochemical systems using Electrochemical Impedance Spectroscopy 

      Ter Heijne, Annemiek; Liu, Dandan; Sulonen, Mira; Sleutels, Tom; Fabregat-Santiago, Francisco Elsevier (2018-10)
      Understanding the electrochemical properties of bio-anodes is essential to improve performance of bioelectrochemical systems. Electrochemical Impedance Spectroscopy (EIS) is often used to study these properties in detail. ...

    • closedAccess   Quantification of Ionic Diffusion in Lead Halide Perovskite Single Crystals 

      Peng, Wei; Aranda Alonso, Clara; Bakr, Osman M.; Garcia-Belmonte, Germà; Bisquert, Juan; Guerrero, Antonio American Chemical Society (2018)
      Lead halide perovskites are mixed electronic–ionic semiconductors that have recently revolutionized the photovoltaics field. The physical characterization of the ionic conductivity has been rather elusive because of the ...

    • openAccess   Quantifying the Absorption Onset in the Quantum Efficiency of Emerging Photovoltaic Devices 

      Almora Rodríguez, Osbel; Cabrera, Carlos I.; Garcia Cerrillo, Jose; Kirchartz, Thomas; Rau, Uwe; Brabec, Christoph J. Wiley (2021-04-28)
      The external quantum efficiency (EQE), also known as incident-photon-to-collected-electron spectra are typically used to access the energy dependent photocurrent losses for photovoltaic devices. The integral over the EQE ...

    • openAccess   Quantum dot-sensitized solar cells 

      Pan, Zhenxiao; Rao, Huashang; Mora-Sero, Ivan; Bisquert, Juan; Zhong, Xinhua Royal Society of Chemistry (2018)
      Quantum dot-sensitized solar cells (QDSCs) have emerged as a promising candidate for next-generation solar cells due to the distinct optoelectronic features of quantum dot (QD) light-harvesting materials, such as high ...

    • openAccess   Radiative Recombination Processes in Halide Perovskites Observed by Light Emission Voltage Modulated Spectroscopy 

      S. Sánchez, Rafael; Villanueva-Antolí, Alexis; Bou, Agustín; Ruiz-Murillo, Marta; Mora-Sero, Ivan; Bisquert, Juan Wiley (2023)
      The kinetics of light emission in halide perovskite light-emitting diodes (LEDs) and solar cells is composed of a radiative recombination of voltage-injected carriers mediated by additional steps such as carrier trapping, ...

    • openAccess   Rational Design of Carbon Nitride Photoelectrodes with High Activity Toward Organic Oxidations 

      Pulignani, Carolina; Mesa, Camilo A.; Hillman, Sam; Uekert, Taylor; Gimenez, Sixto; Durrant, James R.; Reisner, Erwin Wiley (2022-12-12)
      Carbon nitride (CNx) is a light-absorber with excellent performance in photocatalytic suspension systems, but the activity of CNx photoelectrodes has remained low. Here, cyanamide-functionalized CNx (NCNCNx) was co-deposited ...

    • openAccess   Real-Time Observation of Iodide Ion Migration in Methylammonium Lead Halide Perovskites 

      Li, Cheng; Guerrero, Antonio; Yu, Zhong; Gräser, Anna; Melo Luna, Carlos Andres; Köhler, Jürgen; Bisquert, Juan; Hildner, Richard; Huettner, Sven Wiley (2017)
      Organic-inorganic metal-halide perovskites (e.g. CH3NH3PbI3-xClx) emerged as a promising opto-electronic material. However, the Shockley–Queisser Limit for the power conversion efficiency (PCE) of perovskite-based photovoltaic ...

    • openAccess   Recent advances to understand morphology stability of organic photovoltaics 

      Guerrero, Antonio; Garcia-Belmonte, Germà SpringerOpen (2017)
      Organic photovoltaic devices are on the verge of commercialization with power conversion efficiencies exceeding 10 % in laboratory cells and above 8.5 % in modules. However, one of the main limitations hindering their ...

    • openAccess   Recent Developments in Process Digitalisation for Advanced Nanomaterial Syntheses 

      Iglesias, Diego; Haddad, Dina; Sans, Victor Wiley (2022-12-01)
      Digitalisation and industry 4.0 are set to profoundly change the way chemical and materials discovery and development work. The integration of multiple enabling technologies such as flow synthesis, automation, analytics, ...

    • openAccess   Recent Developments in the Modelling of Heterogeneous Catalysts for CO2 Conversion to Chemicals 

      Podrojková, Natália; Sans, Victor; Orinak, Andrej; Oriňaková, Renata Wiley-VCH Verlag (2020-04-06)
      Density functional theory (DFT) of the CO2 behavior on the catalyst surface provides valuable insights about the C=O bond activation, information about adsorption and dissociation of CO2, understanding the elementary steps ...

    • openAccess   Recent insights for achieving mixed halide perovskites without halide segregation 

      Gualdrón Reyes, Andrés Fabián; YOON, SEOG JOON; Mora-Sero, Ivan Elsevier (2018-10)
      The incorporation of halide perovskites in optoelectronics has provided a fast advance in the fabrication of new sensitizers with a balanced light-harvesting, free carrier transportation, and a progressive overcoming of ...

    • openAccess   Recombination reduction on lead halide perovskite solar cells based on low temperature synthesized hierarchical TiO2 nanorods 

      Jaramillo Quintero, Óscar A.; Solís de la Fuente, Mauricio; S. Sánchez, Rafael; Recalde, Ileana B.; Juarez-Perez, Emilio J.; Rincón, M. E.; Mora-Sero, Ivan Royal Society of Chemistry (2016)
      Intensive research on the electron transport material (ETM) has been pursued to improve the efficiency of perovskite solar cells (PSCs) and decrease their cost. More importantly, the role of the ETM layer is not yet fully ...

    • openAccess   Recycled Photons Traveling Several Millimeters in Waveguides Based on CsPbBr3 Perovskite Nanocrystals 

      Navarro-Arenas, Juan; Suárez, Isaac; Gualdrón Reyes, Andrés Fabián; Mora-Sero, Ivan; Bisquert, Juan; Martínez-Pastor, Juan P. Wiley-VCH GmbH (2021-07-09)
      Reabsorption and reemission of photons, or photon recycling (PR) effect, represents an outstanding mechanism to enhance the carrier and photon densities in semiconductor thin films. This work demonstrates the propagation ...

    • openAccess   Redox-Switchable Complexes Based on Nanographene-NHCs 

      Ruiz Zambrana, César Luís; Dubey, Rajeev K.; Poyatos, Macarena; Mateo-Alonso, Aurelio; Peris, Eduardo Wiley (2022-05-30)
      A series of rhodium and iridium complexes with a N-heterocyclic carbene (NHC) ligand decorated with a perylene-diimide-pyrene moiety are described. Electrochemical studies reveal that the complexes can undergo two successive ...

    • openAccess   Redox-Switchable Cycloisomerization of Alkynoic Acids with Napthalenediimide-Derived N-Heterocyclic Carbene Complexes 

      Ruiz Zambrana, César Luís; Gutiérrez-Blanco, Ana; Gonell, Sergio; Poyatos, Macarena; Peris, Eduardo Wiley (2021-09-01)
      Two naphthalene-diimide (NDI) bis-imidazolium salts have been used as N-heterocyclic carbene (NHC) precursors for the preparation of NDI-functionalized complexes of rhodium and iridium of general formula [MCl(NDI-NHC)(COD)] ...

    • openAccess   Redox‐Active Hybrid Polyoxometalate‐Stabilised Gold Nanoparticles 

      Martin, Carmen; Kastner, Katharina; Cameron, Jamie; Hampson, Elizabeth; Alves Fernandes, Jesum; Gibson, Emma K.; Walsh, Darren; Sans, Victor; Newton, Graham Wiley (2020-08-17)
      We report the design and preparation of multifunctional hybrid nanomaterials through the stabilization of gold nanoparticles with thiol‐functionalised hybrid organic–inorganic polyoxometalates (POMs). The covalent attachment ...

    • openAccess   Reduced Graphene Oxides as Carbocatalysts in Acceptorless Dehydrogenation of N-Heterocycles 

      Mollar Cuni, Andrés; Ventura Espinosa, David; Martín Solans, Santiago; Garcia, Hermenegildo; Mata Martínez, Jose A American Chemical Society (2021-11-22)
      The catalytic properties of graphene-derived materials are evaluated in acceptorless dehydrogenation of N-heterocycles. Among them, reduced graphene oxides (rGOs) are active (quantitative yields in 23 h) under mild conditions ...

    • openAccess   Relative Impacts of Methylammonium Lead Triiodide Perovskite Solar Cells Based on Life Cycle Assessment 

      Alberola-Borràs, Jaume-Adrià; Vidal, Rosario; Juarez-Perez, Emilio J.; Mas, Elena; Guerrero, Antonio; Mora-Sero, Ivan Elsevier (2017-11-22)
      The environmental performance of four different device assembly procedures based on hybrid halide perovskite solar cell (PSC) were assessed from cradle to grave using life cycle assessment (LCA) methodology. In addition, ...