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. In this research we have designed electron donors D-π-A type containing two different π fragments to obtain naphthopyrrole (D-NPR-A) and naphthotiophene (D-NTP-A) derivatives, proposed for the use in organic bulk hetero-junction (BHJ) solar cells (OSCs). These derivatives were characterized by DFT and TD-DFT calculations. For all the electron donors the anchorage fragment was 2-methylenemalononitrile, while the chromophore fragment was spanned between diphenylamine, triphenylamine, thiophene. Properties affecting open-circuit photovoltage (V OC ) and short-circuit photocurrent (J SC ) from D-π-A type derivatives, such as geometric structure, frontier-molecular orbital energies, exciton driving force energy, natural bond orbital analysis, absorption spectra and light harvesting efficiency. Energy from HOMO and LUMO orbitals was discussed. Theoretical calculations from TD-DFT within Coulumb attenuation method CAM-B3LYP were able to predict excited state properties. The electron donors D-π-A type exhibit photoelectric conversion efficiency above 10%, being the naphthopyrrole derivatives (D-NPR-A) along with the [6,6]-phenyl-C61-butyric acid methyl ester (PC 61 BM) the complexes with higher photoelectric properties, these complexes are proposed as photoactive materials in the construction of organic bulk hetero-junction solar cells.Keywords: organic solar cell; D-NPR-A derivatives; D-NTP-A derivatives; DFT methods; photoelectric conversion efficiency. INTRODUCCIÓNCon la creciente demanda mundial de energía combinada con el agotamiento de los recursos derivados del petróleo y los riesgos de calentamiento global se ilustra la necesidad urgente de una transición hacia fuentes alternativas de energía renovable.1 Siendo las celdas solares orgánicas (OSCs) libres de metales una potencial alternativa "verde" para la generación de energía eléctrica, ya que estas son comercialmente atractivas por su bajo costo de fabricación, semitransparentes, bajo peso, flexibilidad física, fácil integración, producción continua utilizando herramientas de impresión y su desempeño relativamente bueno en presencia de luz solar difusa, además este tipo de celdas son sostenibles y amigables con el ambiente. [1][2][3][4][5] Recientemente, las celdas solares orgánicas (OSC) han surgido como una nueva tecnología emergente para competir con las celdas solares tradicionales basadas en Silicio.2,6,7 Para llevar esta tecnología a una gran escala y hacerla comercialmente viable es necesario alcanzar una eficiencia de conversión fotoeléctrica (PCE) superior al 10% y garantizar un tiempo de vida útil de 10 años (mayor estabilidad fotoquímica). 8-11La capa fotoactiva de las OSCs se constituye por dos componentes, uno electrodonador (D) y otro electroaceptor (A), ensamblados generalmente en una estructura bi-capa (tipo wafer) o en forma de mezcla, conocida como heterounión de volumen (BHJ).1,12,13 Las OSCs del tipo BHJ han incrementado en un factor de 10 la PCE respecto a los dispositivos convencionales en forma de bi-capa. 2Diferentes estudios muestran...
. In this research we have designed electron donors D-π-A type containing two different π fragments to obtain naphthopyrrole (D-NPR-A) and naphthotiophene (D-NTP-A) derivatives, proposed for the use in organic bulk hetero-junction (BHJ) solar cells (OSCs). These derivatives were characterized by DFT and TD-DFT calculations. For all the electron donors the anchorage fragment was 2-methylenemalononitrile, while the chromophore fragment was spanned between diphenylamine, triphenylamine, thiophene. Properties affecting open-circuit photovoltage (V OC ) and short-circuit photocurrent (J SC ) from D-π-A type derivatives, such as geometric structure, frontier-molecular orbital energies, exciton driving force energy, natural bond orbital analysis, absorption spectra and light harvesting efficiency. Energy from HOMO and LUMO orbitals was discussed. Theoretical calculations from TD-DFT within Coulumb attenuation method CAM-B3LYP were able to predict excited state properties. The electron donors D-π-A type exhibit photoelectric conversion efficiency above 10%, being the naphthopyrrole derivatives (D-NPR-A) along with the [6,6]-phenyl-C61-butyric acid methyl ester (PC 61 BM) the complexes with higher photoelectric properties, these complexes are proposed as photoactive materials in the construction of organic bulk hetero-junction solar cells.Keywords: organic solar cell; D-NPR-A derivatives; D-NTP-A derivatives; DFT methods; photoelectric conversion efficiency. INTRODUCCIÓNCon la creciente demanda mundial de energía combinada con el agotamiento de los recursos derivados del petróleo y los riesgos de calentamiento global se ilustra la necesidad urgente de una transición hacia fuentes alternativas de energía renovable.1 Siendo las celdas solares orgánicas (OSCs) libres de metales una potencial alternativa "verde" para la generación de energía eléctrica, ya que estas son comercialmente atractivas por su bajo costo de fabricación, semitransparentes, bajo peso, flexibilidad física, fácil integración, producción continua utilizando herramientas de impresión y su desempeño relativamente bueno en presencia de luz solar difusa, además este tipo de celdas son sostenibles y amigables con el ambiente. [1][2][3][4][5] Recientemente, las celdas solares orgánicas (OSC) han surgido como una nueva tecnología emergente para competir con las celdas solares tradicionales basadas en Silicio.2,6,7 Para llevar esta tecnología a una gran escala y hacerla comercialmente viable es necesario alcanzar una eficiencia de conversión fotoeléctrica (PCE) superior al 10% y garantizar un tiempo de vida útil de 10 años (mayor estabilidad fotoquímica). 8-11La capa fotoactiva de las OSCs se constituye por dos componentes, uno electrodonador (D) y otro electroaceptor (A), ensamblados generalmente en una estructura bi-capa (tipo wafer) o en forma de mezcla, conocida como heterounión de volumen (BHJ).1,12,13 Las OSCs del tipo BHJ han incrementado en un factor de 10 la PCE respecto a los dispositivos convencionales en forma de bi-capa. 2Diferentes estudios muestran...
There are many technologies that may emerge and eventually disappear over the years. This fact makes the monitoring of technological trends as well as the anticipation of the direction of technological change paramount. This article aims to carry out the prospection of technologies, focusing on its technicalcommercial viability, for solar photovoltaic energy. The research method had a qualititative-quantitative approach with application of the Delphi technique. In the conduction of the Delphi technique, seven steps were followed, ranging from the selection of the specialists to the considerations of their opinions regarding the future of nine photovoltaic technologies. The results of the research indicate that in 2020, the cells monocrystalline, multicrystalline, and amorphous silicon; cadmium telluride; indium/copper selenide, indium, and gallium diselenide; and multicompound III-V cells will have technical and commercial viability and that dye-sensitized silicon nanowire and carbon nanostructure-based cells will not be viable. For the year 2025, monocrystalline and multicrystalline silicon cells and those of multicompounds III-V will still be technically and commercially viable. Silicon nanowire; amorphous silicon; cadmium telluride; indium/copper, selenium, and gallium diselenide dyesensitized cells; and organic photovoltaic cells, including those based on carbon nanostructure, may be viable. This study is important, because the technological prospecting of the photovoltaic cells determines the possible trajectories of these cells, in a way that helps the companies of the sector to anticipate the strategic scenarios, thus facilitating the decision making process.
Three extended 2,5‐dithienylthiazolo[5,4‐d]thiazole‐based small molecule chromophores are prepared via a sustainable direct arylation approach and their physicochemical and opto‐electrical material characteristics are analyzed toward integration in solution‐processed bulk heterojunction organic photovoltaics. Efficient charge separation and high values of the charge transfer state energy are derived from sensitive ground and excited state absorption and photoluminescence measurements on blends of the thiazolo[5,4‐d]thiazole‐based electron donor components with the PC71BM fullerene acceptor. Upon implementation in organic solar cells, a maximum power conversion efficiency of 2.7% and particularly high open‐circuit voltages (0.93−0.98 V) are observed, which are correlated to the charge transfer state energies as derived from photoluminescence, Fourier transform photocurrent spectroscopy and combined electrochemical and photophysical data. Furthermore, several loss processes at the origin of the modest short‐circuit current densities and fill factors are elucidated.
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