2021

  1. 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.

    Article page: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.202100473

  2. 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.

    Article page: https://www.nature.com/articles/s41928-021-00644-3

  3. 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.

    Article page: https://www.sciencedirect.com/science/article/pii/S002223132100569X?via%3Dihub

  4. 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.

    Article page: https://www.sciencedirect.com/science/article/pii/S0360319921016311

  5. 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.

    Article page: https://www.sciencedirect.com/science/article/pii/S2352940721002237?via%3Dihub

  6. ACS Energy Letters, 2021, 6 (10), 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.

    Article page: https://pubs.acs.org/doi/10.1021/acsenergylett.1c01311?ref=pdf

  7. Small Methods, 2021, 2100661.

    Alvarez, A.O.; Ravishankar, S.; Fabregat-Santiago, F.

    Combining Modulated Techniques for the Analysis of Photosensitive Devices.

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/smtd.202100661

  8. Solar RRL, 2021, 5 (11), 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.

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/solr.202100401

  9. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acs.jpcc.1c03880?ref=pdf

  10. Catalysts, 2021, 11 (8), 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.

    Article page: https://www.mdpi.com/2073-4344/11/8/957

  11. Advanced Optical Materials, 2021, 9 (21), 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.

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/adom.202101024?af=R

  12. 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.

    Article page: https://pubs.acs.org/doi/full/10.1021/acs.jpcb.1c03905

  13. Sustainable Energy & Fuels, 2021, 5, 3929-3938.

    Arcas, R.; Koshino, Y.; Mas-Marzá, E.; Tsuji, R.; Masutani, H.; Miura-Fujiwara, E.; Haruyama, Y.; Nakashima, S.; Ito, S.; Fabregat-Santiago, F.

    Pencil graphite rods decorated with nickel and nickel-iron as low-cost oxygen evolution reaction electrodes.

    Article page: https://pubs.rsc.org/en/content/articlelanding/2021/se/d1se00351h#!

  14. The Journal of Physical Chemistry Letters, 2021, 12, 7840–7845.

    Bisquert, J.

    Unique Curve for the Radiative Photovoltage Deficit Caused by the Urbach Tail.

    Article page: https://pubs.acs.org/doi/full/10.1021/acs.jpclett.1c01935

  15. Energy & Environmental Science, 2021,

    Gharibzadeh, S.; Fassl, P.; Hossain, I.; Rohrbeck, P.N.; Frericks, M.; Schmidt, M.; Duong, T.; Khan, M.Rahman; Abzieher, T.; Nejand, B.Abdollahi; Schackmar, F.; Almora, O.; Feeney, T.; Singh, R.; Fuchs, D.; Lemmer, U.; Hofmann, J.Philipp; Weber, S.; Paetzold, U.W.

    Two Birds with One Stone: Dual Grain-Boundary and Interface Passivation Enables > 22% Efficient Inverted Methylammonium-Free Perovskite Solar Cells.

    Article page: https://pubs.rsc.org/en/content/articlelanding/2021/ee/d1ee01508g

  16. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acsphyschemau.1c00009

  17. 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.

    Article page: https://pubs.acs.org/doi/abs/10.1021/acsami.1c06046

  18. 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.

  19. 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.

  20. Advanced Science, 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.

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/adsu.202100120

  21. The Journal of Physical Chemistry C, 2021, 125, 15737−15741.

    Janssen, M.; Bisquert, J.

    Locating the Frequency of Turnover in Thin-Film Diffusion Impedance.

    Article page: https://pubs.acs.org/doi/full/10.1021/acs.jpcc.1c04572

  22. 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.

    Article page: https://pubs.acs.org/doi/abs/10.1021/acsaem.1c00413

  23. ACS Applied Nano Materials, 2021, 4 (6), 6170−6177.

    Chirvony, V.S.; Suárez, I.; Rodríguez-Romero, J.; Vázquez-Cárdenas, R.; Sánchez-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.

    Article page: https://pubs.acs.org/doi/10.1021/acsanm.1c00984

  24. Advanced Optical Materials, 2021, 9 (19), 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.

    Article page: https://onlinelibrary.wiley.com/doi/full/10.1002/adom.202100807

  25. Advanced Engineering Materials, 2021, 11, 2100022.

    Almora, O.; Cabrera, C.I.; Garcia-Cerrillo, J.; Kirchartz, T.; Rau, U.; Brabec, C.J.

    Quantifying the Absorption Onset in the Quantum Efficiency of Emerging Photovoltaic Devices.

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/aenm.202100022

  26. Advanced Electronic Materials, 2021, 7, 2001165.

    These, A.; Khansur, N.H.; Almora, O.; Luer, L.; Matt, G.J.; Eckstein, U.; Barabash, A.; Osvet, A.; Webber, K.G.; Brabec, C.J.

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

    Article page: https://onlinelibrary.wiley.com/doi/10.1002/aelm.202001165

  27. 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.

    Article page: https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202100914

  28. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00394

  29. 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.

    Article page: https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26155

  30. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acsabm.0c01422

  31. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acscatal.1c01479?fig=abs1&ref=pdf

  32. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acsnano.0c08903?ref=pdf

  33. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acsenergylett.1c00871

  34. Journal of Computational Chemistry, 2021, 42, 447–457.

    Martí, S.

    QMCube (QM3): An all-purpose suite for multiscale QM/MM calculations.

    Article page: https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.26465

  35. 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.

    Article page: https://pubs.rsc.org/en/content/articlepdf/2021/cc/d1cc01081f

  36. 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.

    Article page: https://pubs.acs.org/doi/10.1021/acs.biochem.1c00063

  37. 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.

    Article page: https://pubs.rsc.org/en/content/articlelanding/2021/cc/d0cc08142f#!divAbstract

  38. Journal of Materials Chemistry A, 2021,

    Bucci, A.; Garcia-Tecedor, M.; Corby, S.; Rao, R.; Martin-Diaconescu, V.; Oropeza, F.; O'Shea, V.Antonio An; Durrant, J.Robert; Giménez, S.; Lloret-Fillol, J.

    Self-Supported Ultra-Active NiO-Based Electrocatalysts for Oxygen Evolution Reaction by Solution Combustion.

    Article page: https://pubs.rsc.org/en/Content/ArticleLanding/2021/TA/D1TA00072A#!divAbstract

  39. ACS Applied Energy Materials, 2021,

    Noguera, J.; Garcia-Tecedor, M.; Royo, J.Francisco; Liñan, L.María Val; de la Mata, M.; Herrera-Collado, M.; Molina, S.I.; Abargues, R.; Giménez, S.

    Solution-processed Ni-based nanocomposite electrocatalysts: An approach to highly efficient Electrochemical Water Splitting.

  40. Trends in Chemistry, 2021, 3 (6), 499-511.

    Gualdrón-Reyes, A.F.; Masi, S.; Mora-Seró, I.

    Progress in halide-perovskite nanocrystals with near-unity photoluminescence quantum yield.

    Article page: https://www.cell.com/trends/chemistry/fulltext/S2589-5974(21)00059-9

  41. Advanced Energy & Sustainability Research, 2021, 2 (5), 2000088 (1-17).

    Vidal, R.; Alberola-Borràs, J.A.; Sánchez-Pantoja, N.; Mora-Seró, I.

    Comparison of Perovskite Solar Cells with other Photovoltaics Technologies from the Point of View of Life Cycle Assessment.

    Article page: https://onlinelibrary.wiley.com/doi/full/10.1002/aesr.202000088