2021

  1. The Journal of Physical Chemistry Letters, 2021, 12, 11005–11013.
    Bisquert, J.
    A Frequency Domain Analysis of the Excitability and Bifurcations of the FitzHugh–Nagumo Neuron Model.
  2. Catalysts, 2021, 11, 1244.
    Montañés, L.; Mesa, C.A.; Gutierrez-Blanco, A.; Robles, C.; Julián-López, B.; Giménez, S.
    Facile Surfactant-Assisted Synthesis of BiVO4 Nanoparticulate Films for Solar Water Splitting.
  3. Green Chemistry, 2021, 23, 8061-8068.
    Gouda, L.; Sévery, L.; Moehl, T.; Mas-Marzá, E.; Adams, P.; Fabregat-Santiago, F.; Tilley, D.
    Tuning the selectivity of biomass oxidation over oxygen evolution on NiO–OH electrodes.
  4. Angewandte Chemie International Edition, 2021, 60, 20003-20011.
    Ruíz-Zambrana, C.; Gutierrez-Blanco, A.; Gonell, S.; Poyatos, M.; Peris, E.
    Redox-Switchable Cycloisomerization of Alkynoic Acids with Napthalenediimide-Derived N-Heterocyclic Carbene Complexes.
  5. Dalton Transactions, 2021, 50, 12748-12763 .
    Poyatos, M.; Peris, E.
    Insights into the past and future of Janus-di-N-heterocyclic carbenes.
  6. European Journal of Inorganic Chemistry, 2021, 2434-2545.
    Gutierrez-Blanco, A.; Dobbe, C.; Hepp, A.; Daniliuc, C.G.; Poyatos, M.; Hahn, E.; Peris, E.
    Synthesis and Characterization of Poly-NHC-Derived Silver(I) Assemblies and Their Transformation into Poly-Imidazolium Macrocycles.
  7. Nature Electronics, 2021, 4, 681–688.
    Deumel, S.; van Breemen, A.; Gelinck, G.; Peeters, B.; Maas, J.; Verbeek, R.; Shanmugam, S.; Akkerman, H.; Meulenkamp, E.; Huerdler, J.E.; Acharya, M.; García-Batlle, M.; Almora, O.; Guerrero, A.; Garcia-Belmonte, G.; Heiss, W.; Schmidt, O.; Tedde, S.F.
    High-sensitivity high-resolution X-ray imaging with soft-sintered metal halide perovskites.
  8. Journal of Luminescence , 2021, 240, 118453.
    Adl, H.Pashaei; Gorji, S.; Munoz-Matutano, G.; Sánchez-Alarcón, R.I.; Abargues, R.; Gualdrón-Reyes, A.F.; Mora-Seró, I.; Martínez-Pastor, J.P.
    Homogeneous and inhomogeneous broadening in single perovskite nanocrystals investigated by micro-photoluminescence.
  9. International Journal of Hydrogen Energy, 2021, 46, 23702-23714.
    Shaddad, M.N.; Arunachalam, P.; Hezam, M.; AL-Saeedan, N.M.; Giménez, S.; Bisquert, J.; Al-Mayouf, A.M.
    Unprecedented solar water splitting of dendritic nanostructured Bi2O3 films by combined oxygen vacancy formation and Na2MoO4 doping.
  10. Applied Materials Today, 2021, 24, 101159 .
    Afzali, N.; Keshavarzi, R.; Tangestaninejad, S.; Giménez, S.; Mirkhani, V.; Moghadam, M.; Mohammadpoor-Baltork, I.
    Multifunctional approach to improve water oxidation performance with MOF-based photoelectrodes.
  11. ACS Energy Letters, 2021, 6, 3511–3521.
    Salim, K.M.Muhamme; Masi, S.; Gualdrón-Reyes, A.F.; Sánchez, R.S.; Barea, E.M.; Kreĉmarová, M.; Sánchez-Royo, J.F.; Mora-Seró, I.
    Boosting Long-Term Stability of Pure Formamidinium Perovskite Solar Cells by Ambient Air Additive Assisted Fabrication.
  12. Small Methods, 2021, 2100661.
    Alvarez, A.O.; Ravishankar, S.; Fabregat-Santiago, F.
    Combining Modulated Techniques for the Analysis of Photosensitive Devices.
  13. Solar RRL, 2021, 2100401, 1-48.
    Ling, J.K.; Kizhakkedath, P.Kumar Koya; Watson, T.M.; Mora-Seró, I.; Schmidt-Mende, L.; Brown, T.M.; Jose, R.
    A Perspective on the Commercial Viability of Perovskite Solar Cells.
  14. The Journal of Physical Chemistry C, 2021, 125, 28, 15614–15622.
    Macias-Pinilla, D.F.; Planelles, J.; Mora-Seró, I.; Climente, J.I.
    Comparison between Trion and Exciton Electronic Properties in CdSe and PbS Nanoplatelets.
  15. Catalysts, 2021, 11, 957, 1-13.
    Lee, C.H.; Lee, S.Jeong; Shin, Y.J.; Woo, Y.; Han, S.H.; Gualdrón-Reyes, A.F.; Mora-Seró, I.; Yoon, S.Joon
    Synthetic and Post-Synthetic Strategies to Improve Photoluminescence Quantum Yields in Perovskite Quantum Dots.
  16. Advanced Optical Materials, 2021, 202101024, 1-9.
    Adhikari, S.Das; Masi, S.; Echeverría-Arrondo, C.; Miralles-Comins, S.; Sánchez, R.S.; Fernandes, J.Alves; Chirvony, V.S.; Martínez-Pastor, J.P.; Sans, V.; Mora-Seró, I.
    Continuous-Flow Synthesis of Orange Emitting Sn(II)-Doped CsBr Materials.
  17. Nanomaterials, 2021, 11, 2024.
    Aiello, F.; Masi, S.
    The Contribution of NMR Spectroscopy in Understanding Perovskite Stabilization Phenomena.
  18. The Journal of Physical Chemistry B, 2021, 125 (35), 9934–9949.
    Bou, A.; Bisquert, J.
    Impedance Spectroscopy Dynamics of Biological Neural Elements: From Memristors to Neurons and Synapses.
  19. Sustainable Energy & Fuels, 2021, 5, 3929-3938.
    Arcas, R.; Koshino, Y.; Mas-Marzá, E.; Tsuji, R.; Ito, S.; Fabregat-Santiago, F.
    Pencil graphite rods decorated with nickel and nickel-iron as low-cost oxygen evolution reaction electrodes.
  20. The Journal of Physical Chemistry Letters, 2021, 12, 7964–7971.
    Bisquert, J.; Janssen, M.
    From Frequency Domain to Time Transient Methods for Halide Perovskite Solar Cells: The Connections of IMPS, IMVS, TPC, and TPV.
  21. The Journal of Physical Chemistry Letters, 2021, 12, 7840–7845.
    Bisquert, J.
    Unique Curve for the Radiative Photovoltage Deficit Caused by the Urbach Tail.
  22. Energy & Environmental Science, 2021,
    Gharibzadeh, S.; Paetzold, U.W.
    Two Birds with One Stone: Dual Grain-Boundary and Interface Passivation Enables > 22% Efficient Inverted Methylammonium-Free Perovskite Solar Cells.
  23. ACS Physical Chemistry Au, 2021, 1, 25-44.
    Bisquert, J.; Guerrero, A.; Gonzales, C.
    Theory of Hysteresis in Halide Perovskites by Integration of the Equivalent Circuit.
  24. ACS Applied Materials and Interfaces, 2021, 13, 35617–35624.
    García-Batlle, M.; Deumel, S.; Huerdler, J.E.; Tedde, S.F.; Guerrero, A.; Almora, O.; Garcia-Belmonte, G.
    Mobile Ion-Driven Modulation of Electronic Conductivity Explains Long-Timescale Electrical Response in Lead Iodide Perovskite Thick Pellets.
  25. Journal of Chemical Informatics and Modeling, 2021, 61, 3604–3614.
    Galmés, M.À.; Świderek, K.; Moliner, V.
    Computational Studies Suggest Promiscuous Candida antarctica Lipase B as an Environmentally Friendly Alternative for the Production of Epoxides.
  26. ACS Catalysis, 2021, 11, 8635–8644.
    Galmés, M.À.; Nödling, A.R.; Luk, L.; Świderek, K.; Moliner, V.
    Combined Theoretical and Experimental Study to Unravel the Differences in Promiscuous Amidase Activity of Two Nonhomologous Enzymes.
  27. Advanced Sustainable Systems, 2021, 2100120.
    Bi, Z.; Zhang, S.; Thandapani, M.; Zhu, Y.; Zheng, Y.; Liem, N.Quang; Guerrero, A.; Xu, X.
    High Shunt Resistance SnO2-PbO Electron Transport Layer for Perovskite Solar Cells Used in Low Lighting Applications.
  28. The Journal of Physical Chemistry C, 2021, 125, 15737−15741.
    Janssen, M.; Bisquert, J.
    Locating the Frequency of Turnover in Thin-Film Diffusion Impedance.
  29. ACS Applied Energy Materials, 2021, 4, 5615–5624.
    Chen, M.; Kamarudin, M.Akmal; Baranwal, A.K.; Kapil, G.; Ripollés-Sanchis, T.; Bisquert, J.; Shen, Q.; Hayase, S.
    High-Efficiency Lead-Free Wide Band Gap Perovskite Solar Cells via Guanidinium Bromide Incorporation.
  30. ACS Applied Nano Materials, 2021, 4, 6170−6177.
    Chirvony, V.S.; Suárez, I.; Rodríguez-Romero, J.; Vázquez-Cárdenas, R.; Sanchez-Diaz, J.; Molina-Sánchez, A.; Barea, E.M.; Mora-Seró, I.; Martínez-Pastor, J.P.
    Inhomogeneous Broadening of Photoluminescence Spectra and Kinetics of Nanometer-Thick (Phenethylammonium)2PbI4 Perovskite Thin Films: Implications for Optoelectronics.
  31. Advanced Optical Materials, 2021, 2100807, 1-11.
    Navarro-Arenas, J.; Suárez, I.; Gualdrón-Reyes, A.F.; Mora-Seró, I.; Bisquert, J.; Martínez-Pastor, J.P.
    Recycled Photons Traveling Several Millimeters in Waveguides Based on CsPbBr3 Perovskite Nanocrystals.
  32. Nanomanufacturing, 2021, 1(2), 67-74.
    La Porta, F.A.; Masi, S.
    Solvent-Mediated Structural Evolution Mechanism from Cs4PbBr6 to CsPbBr3 Crystals.
  33. Advanced Engineering Materials, 2021, 11, 2100022.
    Almora, O.
    Quantifying the Absorption Onset in the Quantum Efficiency of Emerging Photovoltaic Devices.
  34. Solar RRL, 2021, 5, 2100024.
    Almora, O.
    Degradation through Directional Self-Doping and Homogeneous Density of Recombination Centers Hindered by 1,8-Diiodooctane Additive in Non-Fullerene Organic Solar Cells.
  35. Advanced Electronic Materials, 2021, 7, 2001165.
    These, A.
    Characterization of Aerosol Deposited Cesium Lead Tribromide Perovskite Films on Interdigited ITO Electrodes.
  36. Angewandte Chemie International Edition, 2021, 60, 15412-15417.
    Vicent, C.; Martínez-Agramunt, V.; Gandhi, V.; Larriba-Andaluz, C.; Gusev, D.G.; Peris, E.
    Ion Mobility Mass Spectrometry Uncovers Guest-Induced Distortions in a Supramolecular Organometallic Metallosquare.
  37. Chemistry - A European Journal, 2021, 27, 9661-9665.
    Ibáñez, S.; Peris, E.
    Shape-Adaptability and Redox-Switching Properties of a Di-Gold Metallotweezer.
  38. Journal of Chemical Informatics and Modeling, 2021, 61, 3041–3051.
    Boneta, S.; Arafet, K.; Moliner, V.
    QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate.
  39. PROTEINS: Structure, Function and Bioinformatics, 2021, 1-13.
    da Costa, C.Henrique S.; Santos, A.M. dos; Alves, C.audioNahum; Martí, S.; Moliner, V.; Santana, K.; Lameira, J.
    Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding.
  40. ACS Applied Bio Materials, 2021, 4, 935-944.
    Martí-Centelles, R.; Dolz-Pérez, I.; De la O, J.; Ontoria-Oviedo, I.; Sepúlveda, P.; Nebot, V.J.; Vicent, M.J.; Escuder, B.
    Two-Component Peptidic Molecular Gels for Topical Drug Delivery of Naproxen.
  41. ACS Catalysis, 2021, 11, 8211–8225.
    Glanowski, M.; Wójcik, P.; Procner, M.; Borowski, T.; Lupa, D.; Mielczarek, P.; Oszajca, M.; Moliner, V.; Świderek, K.; Bojarski, A.J.; Szaleniec, M.
    Enzymatic Δ1-Dehydrogenation of 3-Ketosteroids—Reconciliation of Kinetic Isotope Effects with the Reaction Mechanism.
  42. ACS Nano, 2021, 15, 7, 10775–10981.
    Hoye, R.L.Z.; Polavarapu, L.; Dey, A.; Ye, J.; Debroye, E.; Ha, S.Kyun; Yin, J.; Yan, F.; Shamsi, J.; Scheel, M.A.; Steele, J.A.; Han, C.; Korgel, B.A.; Mora-Seró, I.; Pérez-Prieto, J.; Bakr, O.M.; Müller-Buschbaum, P.; Stranks, S.D.
    State of the Art and Prospects for Halide Perovskite Nanocrystals.
  43. ACS Energy Letters, 2021, 6, 2248–2255.
    Bou, A.; Abolins, H.; Ashoka, A.; Cruanyes, H.; Guerrero, A.; Deschler, F.; Bisquert, J.
    Extracting in Situ Charge Carrier Diffusion Parameters in Perovskite Solar Cells with Light Modulated Techniques.
  44. Journal of Computational Chemistry, 2021, 42, 447–457.
    Martí, S.
    QMCube (QM3): An all-purpose suite for multiscale QM/MM calculations.
  45. Chemical Communications, 2021, 57, 5306–5309.
    De Raffele, D.; Martí, S.; Moliner, V.
    A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody.
  46. Chemistry - A European Journal, 2021, 27, 1-10.
    Arafet, K.; González, F.V.; Moliner, V.
    Elucidating the dual mode of action of dipeptidyl enoates in the inhibition of rhodesain cysteine proteases.
  47. Biochemistry, 2021, 60, 1243-1247.
    Kholodar, S.A.; Finer-Moore, J.S.; Świderek, K.; Arafet, K.; Moliner, V.; M.Stroud, R.; Kohen, A.
    Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
  48. ACS Catalysis, 2021, 11, 3575–3589.
    Serrano-Aparicio, N.; Moliner, V.; Świderek, K.
    Nature of Irreversible Inhibition of Human 20S Proteasome by Salinosporamide A. The Critical Role of Lys–Asp Dyad Revealed from Electrostatic Effects Analysis.
  49. Chemical Communications, 2021, 57, 1919-1922.
    Santi, N.; Morrill, L.C.; Świderek, K.; Moliner, V.; Luk, L.Y.P.
    Transfer Hydrogenations catalyzed by Streptavidin-hosted Secondary Amine Organocatalyst.
  50. Chemical Science, 2021, 12, 1433-1444 .
    Arafet, K.; Serrano-Aparicio, N.; Lodola, A.; Mulholland, A.; González, F.V.; Świderek, K.; Moliner, V.
    Mechanism of Inhibition of SARS-CoV-2 Mpro by N3 Peptidyl Michael Acceptor Explained by QM/MM Simulations and Design of New Derivatives with Tunable Chemical Reactivity.