Design of two-photon molecular tandem architectures for solar cells by ab initio theory† †Electronic supplementary information (ESI) available: Visualizations of molecular orbitals, one-particle mechanisms and a table with Kohn–Sham eigenvalues. See DOI: 10.1039/c4sc03835e
نویسندگان
چکیده
Center for Atomic-scale Materials Design, D of Denmark, 2800 Kgs. Lyngby, Denmark. Edtu.dk Department of Energy Conversion, Technica 399, 4000 Roskilde, Denmark Departamento de Quimica Organica, Facult Madrid, Campus de Cantoblanco, 28049 M Department of Physics, University of Wisc Madison, Wisconsin 53706, USA Max Planck Institute for the Structure and Nano-Bio Spectroscopy Group and ETSF, Un EHU-MPC & DIPC, 20018 San Sebastian, Sp † Electronic supplementary informatio molecular orbitals, one-particle mechan eigenvalues. See DOI: 10.1039/c4sc03835e Cite this: Chem. Sci., 2015, 6, 3018
منابع مشابه
Design of two-photon molecular tandem architectures for solar cells by ab initio theory.
An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells that convert two photons into a single electron-hole pair, thereby increasing the output voltage while covering a wider spectral range. Three different architectures are considered: the first two involve a complex consisting of two dye mo...
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Beijing National Laboratory of Molecular Sc Engineering, State Key Laboratory of Applications, Peking University, Beijing, 100 edu.cn; [email protected]; Web: http://w 6275-1708 Jiangsu Key Laboratory for NSLSCS, Scho Nanjing Normal University, Nanjing 210023 Department of Chemistry, Key Laboratory (MOE), State Key Laboratory of Elem Innovation Center of Chemical Science University, Tianjin 30...
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The decay time constants shown in Table 3 have been fitted using exponential functions. The monoexponential fit of the S 0 and T 1 populations has been done using the following formula: P mono,S 0 /T 1 = 1 − e −t τ 1 (1) The biexponential fit has been performed using the following formula:
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Experimental Section pages S2 – S16
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Department of Chemistry and Biomolecular Canada K1N 6N5. E-mail: m.murugesu@uo 613-562-5800 ext. 2733 Theory of Nanomaterials Group, INPAC Chemistry, Katholieke Universiteit Leuven Belgium Division of Theoretical Chemistry, Lund Un 22100, Lund, Sweden † Electronic supplementary information crystallography, magnetic properties mea 1454168–1454171. For ESI and crystallog format see DOI: 10.1039/c...
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عنوان ژورنال:
دوره 6 شماره
صفحات -
تاریخ انتشار 2015