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    • closedAccess   C60 Thin Films in Perovskite Solar Cells: Efficient or Limiting Charge Transport Layer? 

      Klipfel, Nadja; Alvarez, Agustin; Kanda, Hiroyuki; Sutanto, Albertus Adrian; Igci, Cansu; Roldán-Carmona, Cristina; Momblona, Cristina; Fabregat-Santiago, Francisco; Nazeeruddin, Mohammad Khaja American Chemical Society (2022-02-28)
      In this work, we identify the importance of C60 and compact-TiO2 (cTiO2) as electron transport layers on the device performance of coevaporated n–i–p perovskite solar cells. We found (1) a synergetic effect between both ...

    • openAccess   Carbonyl Iron Foam Surfaces Modified with Poly (L-Lysine) As Smart Surface for Bone Implant 

      Macko, Jan; Echeverría-Arrondo, Carlos; Podrojková, Natália; Brito Barrera, Yazmin Angelina; Kindi, Husnia; Sisáková, Katarína; Gorejová, Radka; Jendželovsky, Rastislav; Buľková, Viktória; Mora-Sero, Ivan; Sans, Victor; Oriňaková, Renáta; Groth, Thomas; Orinak, Andrej BiomedGrid (2021-09-30)
      This article presents the surface modification of iron Fe (110) surfaces with Poly-L-Lysine (PLL) with the aim of preparing carbonyl iron bone implants which are less corrosive and more compatible with fibroblast cells. ...

    • openAccess   Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction: A Density Functional Theory Study 

      Biz, Chiara; Fianchini, Mauro; Gracia, Jose American Chemical Society (2020)
      One of the main obstacles in the implementation of hydrogen fuel cells (HFC) lies in the efficiency loss due to the overpotential of the oxygen reduction reaction (ORR). Nowadays, the best catalysts for cathodes in HFC are ...

    • openAccess   Catalyst design for highly efficient carbon dioxide hydrogenation to formic acid under buffering conditions 

      Weilhard, Andreas; Salzmann, Kevin; Navarro, Miquel; Dupont, Jairton; albrecht, martin; Sans, Victor Elsevier (2020-03-19)
      We report on new ruthenium complexes as catalysts for the efficient transformation of CO2 into formic acid employing basic ionic liquids as buffering media. Remarkably, these complexes catalyze the hydrogenation of CO2 ...

    • openAccess   Catalytic conversion of alkynes to α-vinyl sulfides mediated by carbene-linker-carbene (CXC) rhodium and iridium complexes 

      Tolley, Lewis C.; Fernandez, Israel; Bezuidenhout, Daniela; Guisado-Barrios, Gregorio The Royal Society of Chemistry (2021-01-21)
      The catalytic activity of a set of mono- and bimetallic Rh(I) and Ir(I) complexes bearing carbene-linker-carbene (CXC) bis-triazolylidene ligands (with X = O, N) coordinated in a bridging or chelating fashion was evaluated ...

    • openAccess   Categorical Variable Mapping Considerations in Classification Problems: Protein Application 

      Alfonso Perez, Gerardo; Castillo, Raquel MDPI (2023)
      The mapping of categorical variables into numerical values is common in machine learning classification problems. This type of mapping is frequently performed in a relatively arbitrary manner. We present a series of four ...

    • openAccess   Cation-Driven Self-Assembly of a Gold(I)-Based Metallo-Tweezer 

      Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo Wiley (2017-08-07)
      A combination of self-complementary pi-pi-stacking interactions and metallophilic interactions triggered the self-assembly of a new digold(I) metallo-tweezer in the presence of several types of M+ ions. Titrations by ...

    • openAccess   Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog 

      Kholodar, Svetlana; Finer-Moore, Janet; Świderek, Katarzyna; Arafet Cruz, Kemel; Moliner, Vicent; Stroud, Robert M.; Kohen, Amnon American Chemical Society (2021-04-08)
      Methylation of 2-deoxyuridine-5′-monophosphate (dUMP) at the C5 position by the obligate dimeric thymidylate synthase (TSase) in the sole de novo biosynthetic pathway to thymidine 5′-monophosphate (dTMP) proceeds by forming ...

    • closedAccess   Changes from Bulk to Surface Recombination Mechanisms between Pristine and Cycled Perovskite Solar Cells 

      Correa-Baena, Juan-Pablo; Turren Cruz, Silver Hamill; Tress, Wolfgang; Hagfeldt, Anders; Aranda Alonso, Clara; Shooshtari, Leyla; Bisquert, Juan; Guerrero, Antonio American Chemical Society (2017)
      Several aspects on the photophysical characterization of lead halide hybrid organic–inorganic perovskite solar cells remain unsolved. It has been observed that ionic transport and polarization of the interfaces cause very ...

    • openAccess   Characterization of Aerosol Deposited Cesium Lead Tribromide Perovskite Films on Interdigited ITO Electrodes 

      These, Albert; Khansur, Neamul H; Almora Rodríguez, Osbel; Luer, Larry; Matt, Gebhard J.; Eckstein, Udo; Barabash, Anastasia; Osvet, Andres; Webber, Kyle; Brabec, Christoph J. John Wiley & Sons (2021-01-15)
      Aerosol deposition (AD) is a promising additive manufacturing method to fabricate low-cost, scalable films at room temperature, but has not been considered for semiconductor processing, so far. The successful preparation ...

    • openAccess   Chemi-Structural Stabilization of Formamidinium Lead Iodide Perovskite by Using Embedded Quantum Dots 

      Masi, Sofia; Echeverría-Arrondo, Carlos; Muhammed, Salim K.M.; Ngo, Thi Tuyen; Mendez, Perla F.; López-Fraguas, Eduardo; Macias-Pinilla, David F.; Planelles, Josep; Climente, Juan I.; Mora-Sero, Ivan American Chemical Society (2020-01-6)
      The approaches to stabilize the perovskite structure of formamidinium lead iodide (FAPI) commonly result in a blue shift of the band gap, which limits the maximum photoconversion efficiency. Here, we report the use of PbS ...

    • openAccess   Chemical Inductor 

      Bisquert, Juan; Guerrero, Antonio American Chemical Society (2022-03-22)
      A multitude of chemical, biological, and material systems present an inductive behavior that is not electromagnetic in origin. Here, it is termed a chemical inductor. We show that the structure of the chemical inductor ...

    • openAccess   Chemically Fueled Autonomous Sol→Gel→Sol→Gel→Sol Transitions 

      Hermans, Thomas; Singh, Nishant Wiley (2023-06-05)
      Complex non-equilibrium phase behaviors are a hallmark of natural self-assembling systems. Here we show how intricate phase transitions can be achieved through a chemically fueled reaction cycle to yield autonomous ...

    • openAccess   Chemically Tunable Formation of Different Discrete, Oligomeric, and Polymeric Self‐Assembled Structures from Digold Metallotweezers 

      Ibáñez, Susana; Peris, Eduardo (2018)
      Digold metallotweezers whose complex supramolecular landscape is controlled by adding a series of metal cations are described. The metallotweezers have a strong tendency to form interesting supramolecular structures on ...

    • openAccess   Chemistry in light-induced 3D printing 

      Salas-Chavez, Alejandra; Zanatta, Marcileia; Sans, Victor; Roppolo, Ignazio Springer (2023-01-21)
      In the last few years, 3D printing has evolved from its original niche applications, such as rapid prototyping and hobbyists, towards many applications in industry, research and everyday life. This involved an evolution ...

    • openAccess   Chromium doped copper vanadate photoanodes for water splitting 

      Cardenas-Morcoso, Drialys; Peiro-Franch, Anna; Herraiz Cardona, Isaac; Gimenez, Sixto Elsevier (2017-07-15)
      Solar hydrogen obtained from photoelectrochemical water splitting offers a versatile approach towards the substitution of fossil fuels by decentralized and sustainable resources, like water and sun. In the present study ...

    • openAccess   Clippane: A Mechanically Interlocked Molecule (MIM) Based on Molecular Tweezers 

      Ibáñez, Susana; Vicent Barrera, Cristian; Peris, Eduardo Wiley (2022-01-10)
      In this study we report the preparation of a new mechanically interlocked molecule formed by the self-aggregation of two metallotweezers composed by two pyrene-imidazolylidene gold(I) arms and a pyridine-centered pentacyclic ...

    • openAccess   Cobalt Hexacyanoferrate as a Selective and High Current Density Formate Oxidation Electrocatalyst 

      Han, Lijuan; González-Cobos, Jesús; Sánchez-Molina, Irene; Giancola, Stefano; Folkman, Scott; Tang, PengYi; Heggen, Marc; Dunin-Borkowski, Rafal; Arbiol, Jordi; Gimenez, Sixto; Galan-Mascaros, Jose Ramon American Chemical Society (2020-09-28)
      Herein we report the selectivity, stability, and electrochemical characterization of cobalt hexacyanoferrate, the Co–Fe Prussian Blue derivative (CoFePB), as a formate/formic acid oxidation electrocatalyst in aqueous media. ...

    • openAccess   Cobalt Hexacyanoferrate on BiVO4 Photoanodes for Robust Water Splitting 

      Hegner, Franziska; Herraiz Cardona, Isaac; Cardenas-Morcoso, Drialys; López, Núria; Galan-Mascaros, Jose Ramon; Gimenez, Sixto (2017-11-01)
      The efficient integration of photoactive and catalytic materials is key to promoting photoelectrochemical water splitting as a sustainable energy technology built on solar power. Here, we report highly stable water splitting ...

    • openAccess   Combined Theoretical and Experimental Study to Unravel the Differences in Promiscuous Amidase Activity of Two Nonhomologous Enzymes 

      Galmés, Miquel À; Nödling, Alexander; Luk, Louis Y. P.; Świderek, Katarzyna; Moliner, Vicent American Chemical Society (2021-07-16)
      Convergent evolution has resulted in nonhomologous enzymes that contain similar active sites that catalyze the same primary and secondary reactions. Comparing how these enzymes achieve their reaction promiscuity can yield ...