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Structure and Disorder in Squaraine-C<sub>60</sub> Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface.
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- Advanced Functional Materials, 2014, v. 24, n. 24, p. 3790, doi. 10.1002/adfm.201303941
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Interfaces: Structure and Disorder in Squaraine-C<sub>60</sub> Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface (Adv. Funct. Mater. 24/2014).
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- Advanced Functional Materials, 2014, v. 24, n. 24, p. 3653, doi. 10.1002/adfm.201470155
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Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 10, p. 1, doi. 10.1007/s00214-012-1273-0
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Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π‐Conjugation.
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- Advanced Functional Materials, 2022, v. 32, n. 10, p. 1, doi. 10.1002/adfm.202108662
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On the Molecular Origin of Charge Separation at the Donor–Acceptor Interface.
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- Advanced Energy Materials, 2018, v. 8, n. 12, p. 1, doi. 10.1002/aenm.201702232
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An Unconventional Intermolecular Three-Center N-H ...︁ H<sub>2</sub>Re Hydrogen Bond in Crystalline [ReH<sub>5</sub>(PPh<sub>3</sub>)<sub>3</sub>]·indole·C<sub>6</sub>H<sub>6</sub>.
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- Angewandte Chemie International Edition, 1995, v. 34, n. 22, p. 2507, doi. 10.1002/anie.199525071
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Hole transporting materials for perovskite solar cells: molecular versus polymeric carbazole-based derivatives.
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- Journal of Materials Science, 2020, v. 55, n. 11, p. 4820, doi. 10.1007/s10853-019-04342-6
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Fast and Accurate Determination of the Singlet–Triplet Gap in Donor–Acceptor and Multiresonance TADF Molecules by Using Hole–Hole Tamm–Dancoff Approximated Density Functional Theory.
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- Advanced Theory & Simulations, 2022, v. 5, n. 8, p. 1, doi. 10.1002/adts.202200056
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Organic Solar Cells: On the Physical Origins of Charge Separation at Donor–Acceptor Interfaces in Organic Solar Cells: Energy Bending versus Energy Disorder (Adv. Theory Simul. 4/2020).
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- Advanced Theory & Simulations, 2020, v. 3, n. 4, p. 1, doi. 10.1002/adts.202070008
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On the Physical Origins of Charge Separation at Donor–Acceptor Interfaces in Organic Solar Cells: Energy Bending versus Energy Disorder.
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- Advanced Theory & Simulations, 2020, v. 3, n. 4, p. 1, doi. 10.1002/adts.201900230
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Enhancement of Hole Extraction Efficiency of Dibenzothiophenes by Substitution Engineering: Toward Additive‐Free Perovskite Solar Cells with Power Conversion Efficiency Exceeding 20%.
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- Solar RRL, 2022, v. 6, n. 7, p. 1, doi. 10.1002/solr.202200128
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Strain effects on the work function of an organic semiconductor.
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- Nature Communications, 2016, v. 7, n. 2, p. 10270, doi. 10.1038/ncomms10270
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Fluorine⋅⋅⋅ and π⋅⋅⋅Alkali Metal Interactions Control in the Stereoselective Amide Enolate Alkylation with Fluorinated Oxazolidines (Fox) as a Chiral Auxiliary: An Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2008, v. 14, n. 11, p. 3363, doi. 10.1002/chem.200701604
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Carbazole‐Based Molecular Glasses as Hole‐Transporting Materials in Solid State Dye‐Sensitized Solar Cells.
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- ChemNanoMat, 2015, v. 1, n. 3, p. 203, doi. 10.1002/cnma.201500014
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Impact of Imine Bond Orientations on the Geometric and Electronic Structures of Imine‐based Covalent Organic Frameworks.
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- Chemistry - An Asian Journal, 2021, v. 16, n. 22, p. 3781, doi. 10.1002/asia.202101011
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Controlled n‐Doping of Naphthalene‐Diimide‐Based 2D Polymers.
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- Advanced Materials, 2022, v. 34, n. 22, p. 1, doi. 10.1002/adma.202101932
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- Article