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https://www.readbyqxmd.com/read/28930328/electronic-excitation-induced-hydrogen-bond-adjustment-and-lattice-control-in-organic-inorganic-hybrid-cubic-perovskites-a-fixed-occupation-molecular-dynamics-study
#1
Mo-Ran Wang, Xiang-Yang Ren, Xian-Bin Li, Nian-Ke Chen, Hong-Bo Sun
The organic-inorganic hybrid perovskite has become a new type of semiconductor for low cost and highly efficient solar cells. However, the mechanism of interactions between the organic cation and the inorganic framework is still not completely clear under optical electronic excitation. In this work, we employ first-principles molecular dynamics with electronic excitation effects to prove that the hydrogen-bond interaction between the molecular cation and the inorganic lattice can be readily adjusted by several-percentage-valence-electron excitations in cubic CH3NH3PbI3...
September 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28930319/revealing-the-correlation-between-charge-carrier-recombination-and-extraction-in-an-organic-solar-cell-under-varying-illumination-intensity
#2
Abhishek Sharma, Mihirsinh Chauhan, Vishal Bharti, Manoj Kumar, Suresh Chand, Brijesh Tripathi, J P Tiwari
The design and fabrication of better excitonic solar cells are the need of the hour for futuristic energy solutions. This designing needs a better understanding of the charge transport properties of excitonic solar cells. One of the popular methods of understanding the charge transport properties is the analysis of the J-V characteristics of a device through theoretical simulation at varied illumination intensity. Herein, a J-V characteristic of a polymer:fullerene based bulk heterojunction (BHJ) organic solar cells (OSCs) of structure ITO/PEDOT:PSS (∼40 nm)/PTB7:PC71BM (∼100 nm)/Al (∼120 nm) is analyzed using one- and two-diode models at varied illumination intensity in the range of 0...
September 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28930100/the-joule-heating-problem-in-silver-nanowire-transparent-electrodes
#3
H H Khaligh, L Xu, A Khosropour, A Madeira, M Romano, C Pradére, M Tréguer-Delapierre, L Servant, M A Pope, I A Goldthorpe
Silver nanowire transparent electrodes have shown considerable potential to replace conventional transparent conductive materials. However, in this report we show that Joule heating is a unique and serious problem with these electrodes. When conducting current densities encountered in organic solar cells, the average surface temperature of indium tin oxide (ITO) and silver nanowire electrodes, both with sheet resistances of 60 ohms/square, remains below 35 °C. However, in contrast to ITO, the temperature in the nanowire electrode is very non-uniform, with some localized points reaching temperatures above 250 °C...
September 20, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28929451/comparison-of-nanohole-type-and-nanopillar-type-patterned-metallic-electrodes-incorporated-in-organic-solar-cells
#4
Wenyan Wang, Yanxia Cui, Kin Hung Fung, Ye Zhang, Ting Ji, Yuying Hao
Both the nanohole- and nanopillar-type patterned metallic electrodes (PMEs) have been introduced in organic solar cells (OSCs) for improving device performances experimentally, but there is few work addressing the similarities and differences between them. In this theoretical work, we systematically compare the impact of the nanohole- and nanopillar-type PMEs on the performance of an OSC based on hybridized cavity resonances. By optimizing the geometrical parameters of each PME, we obtained an interesting result that the integrated absorption efficiencies in the active layer with different optimized PMEs are almost the same (both are equal to 82...
September 19, 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28927273/effect-of-infrared-pulse-excitation-on-the-bound-charge-transfer-state-of-photovoltaic-interfaces
#5
Yun Geng, Myeong H Lee, Alessandro Troisi
The nature and dynamics of the bound charge transfer (CT) state in the exciton dissociation process in organic solar cell is of critical importance for the understanding of these devices. It was recently demonstrated that this state can be probed by a new experiment where an infrared (IR) push-pulse is used to dissociate charges from the bound excited state. Here we proposed a simple quantum dynamics model to simulate the excitation of IR pulse on the bound CT state with model parameters extracted from quantum chemical calculations...
September 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28927268/discovery-of-pb-free-perovskite-solar-cells-via-high-throughput-simulation-on-k-computer
#6
Takahito Nakajima, Keisuke Sawada
We performed a systematic high-throughput simulation with density functional theory for 11,025 compositions of hybrid organic-inorganic halide compounds in ABX3 and A2BB'X6 forms, where A is an organic or inorganic component, B/B' is a metal atom, and X is a halogen atom. The computational results were compiled as a materials database. We performed massive computational simulation by using the K computer, which is a massively parallel many-core supercomputer in Japan. By applying the screening procedure to all the compounds in the materials database, we discovered novel candidates for environmentally friendly lead-free perovskite solar cells and propose 51 low-toxic halide single and double perovskites, most of which are newly proposed in this study...
September 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28926685/nir-absorbing-metal-free-organic-porphyrin-and-phthalocyanine-dyes-for-panchromatic-dscs
#7
Phillip Brogdon, Hammad Cheema, Jared Heath Delcamp
Dye-sensitized solar cells (DSCs) are a promising source of renewable energy. However, power conversion efficiency (PCE) of devices has been limited largely by the difficulty of producing electricity using photons from the near-infrared (NIR) spectral region. Metal-free organic sensitizers frequently employ strong electron donating or withdrawing moieties to tune the optical band gap to allow the absorption of lower energy wavelengths in charge transfer systems while porphyrins and phthalocyanines use substituents to shift the Soret and Q bands toward lower energy absorption...
September 19, 2017: ChemSusChem
https://www.readbyqxmd.com/read/28925705/incoherent-pathways-of-charge-separation-in-organic-hybrid-solar-cells
#8
Alexander Grupp, Philipp Ehrenreich, Julian Kalb, Arne Budweg, Lukas Schmidt-Mende, Daniele Brida
In this work, we investigate the exciton dissociation dynamics occurring at the donor-acceptor interface in organic and hybrid blends employed in the realization of photovoltaic cells. Fundamental differences in the charge separation process are studied with the organic semiconductor polymer poly(3-hexylthiophene) (P3HT) and either [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) or titanium dioxide (TiO2) acting as acceptor. By using ultrafast broadband transient absorption spectroscopy with few-fs temporal resolution, we observe that in both cases the incoherent formation of free charges is dominating the charge generation process...
September 19, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28922479/highly-conductive-and-transparent-large-area-bilayer-graphene-realized-by-mocl5-intercalation
#9
Hiroki Kinoshita, Il Jeon, Mina Maruyama, Kenji Kawahara, Yuri Terao, Dong Ding, Rika Matsumoto, Yutaka Matsuo, Susumu Okada, Hiroki Ago
Bilayer graphene (BLG) comprises a 2D nanospace sandwiched by two parallel graphene sheets that can be used to intercalate molecules or ions for attaining novel functionalities. However, intercalation is mostly demonstrated with small, exfoliated graphene flakes. This study demonstrates intercalation of molybdenum chloride (MoCl5 ) into a large-area, uniform BLG sheet, which is grown by chemical vapor deposition (CVD). This study reveals that the degree of MoCl5 intercalation strongly depends on the stacking order of the graphene; twist-stacked graphene shows a much higher degree of intercalation than AB-stacked...
September 18, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28918321/extending-donor-size-in-d-a-%C3%AF-a-organic-dye-for-dye-sensitized-solar-cells-anti-aggregation-and-improving-electron-injection
#10
Yuan-Chun Hu, Wei-Lu Ding, Xing-Liang Peng, Ze-Sheng Li
We have theoretically designed two D-A-π-A dyes 3 and 4 based on the efficient references 1 and 2 by introducing an extra electron donor unit (D2). Via calculating the electronic structures of isolated dyes, we obtain that dyes 3 and 4 possess stronger light-harvesting efficiency imparted by the fluorescence energy transfer of D2 part, maintain comparable lifetime of excited states, and shorten the electron injection time significantly with regard to 1 and 2. Meanwhile, dye 3 positively shifts the edge of virtual states of TiO2 in a larger extent compared to its counterparts...
September 8, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28917844/comparison-of-chitosan-and-chitosan-nanoparticles-on-the-performance-and-charge-recombination-of-water-based-gel-electrolyte-in-dye-sensitized-solar-cells
#11
Malihe Khalili, Mohammad Abedi, Hossein Salar Amoli, Seyed Ahmad Mozaffari
In commercialization of liquid dye-sensitized solar cells (DSSCs), whose leakage, evaporation and toxicity of organic solvents are limiting factors, replacement of organic solvents with water-based gel electrolyte is recommended. This work reports on utilizing and comparison of chitosan and chitosan nanoparticle as different gelling agents in preparation of water-based gel electrolyte in fabrication of dye sensitized solar cells. All photovoltaic parameters such as open circuit voltage (Voc), fill factor (FF), short circuit current density (Jsc) and conversion efficiency (η) were measured...
November 1, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28915001/design-of-donor-polymers-with-strong-temperature-dependent-aggregation-property-for-efficient-organic-photovoltaics
#12
Huawei Hu, Philip C Y Chow, Guangye Zhang, Tingxuan Ma, Jing Liu, Guofang Yang, He Yan
Bulk heterojunction (BHJ) organic solar cells (OSCs) have attracted intensive research attention over the past two decades owing to their unique advantages including mechanical flexibility, light weight, large area, and low-cost fabrications. To date, OSC devices have achieved power conversion efficiencies (PCEs) exceeding 12%. Much of the progress was enabled by the development of high-performance donor polymers with favorable morphological, electronic, and optical properties. A key problem in morphology control of OSCs is the trade-off between achieving small domain size and high polymer crystallinity, which is especially important for the realization of efficient thick-film devices with high fill factors...
September 15, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28914535/small-molecule-near-infrared-bodipy-donors-for-organic-tandem-solar-cells
#13
Tian-Yi Li, Toni Meyer, Zaifei Ma, Johannes Benduhn, Christian Koerner, Olaf Zeika, Koen Vandewal, Karl Leo
Three furan fused BODIPYs with a CF3 group on the meso-carbon are synthesized as near infrared (NIR) absorbing materi-als for vacuum processable organic solar cells (OSCs). The best single junction device reaches a short-circuit current (jsc) of 13.3 mA cm-2 and a power conversion efficiency (PCE) of 6.1%. These values are highly promising for an electron donor materi-al with an absorption onset beyond 900 nm. In a tandem solar cell (TSC) comprising a NIR BODIPY sub-cell and a matching "green" absorber sub-cell, complementary absorption is achieved, resulting in PCE of ~10%...
September 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28910700/characterization-of-light-dependent-hydrogen-production-by-new-green-microalga-parachlorella-kessleri-in-various-conditions
#14
Lilit Gabrielyan, Lusine Hakobyan, Armen Trchounian
Nowadays, hydrogen (H2) production by green microalgae seems to be a very perspective, as stocks of water and solar energy are practically inexhaustible and renewable. The aim of this study was the optimization of conditions (organic carbon sources and lighting regime), which can provide light-dependent H2 production by green microalga Parachlorella kessleri RA-002 newly isolated in Armenia. The results indicated that carbon sources and lighting regimes affected H2 production. In the presence of used carbon sources H2 production was observed, but the highest yield of H2 was obtained in the presence of acetate...
September 6, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28901581/hybrid-copper-nanowire-reduced-graphene-oxide-coatings-a-green-solution-toward-highly-transparent-highly-conductive-and-flexible-electrodes-for-opto-electronics
#15
Alessandro Aliprandi, Tiago Moreira, Cosimo Anichini, Marc-Antoine Stoeckel, Matilde Eredia, Ugo Sassi, Matteo Bruna, Carlos Pinheiro, César A T Laia, Sara Bonacchi, Paolo Samorì
This study reports a novel green chemistry approach to assemble copper-nanowires/reduced-graphene-oxide hybrid coatings onto inorganic and organic supports. Such films are robust and combine sheet resistances (<30 Ω sq(-1) ) and transparencies in the visible region (transmittance > 70%) that are rivalling those of indium-tin oxide. These electrodes are suitable for flexible electronic applications as they show a sheet resistance change of <4% after 10 000 bending cycles at a bending radius of 1.0 cm, when supported on polyethylene terephthalate foils...
September 13, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28901124/understanding-and-tailoring-grain-growth-of-lead-halide-perovskite-for-solar-cell-application
#16
Yongchao Ma, Yanliang Liu, Insoo Shin, In-Wook Hwang, Yun Kyung Jung, Jung Hyun Jeong, Sung Heum Park, Kwang Ho Kim
The fundamental mechanism of grain growth evolution in the fabrication process from the precursor phase to the perovskite phase is not fully understood despite its importance in achieving high-quality grains in organic-inorganic hybrid perovskites, which are strongly affected by processing parameters. In this work, we investigate the fundamental conversion mechanism from the precursor phase of perovskite to the complete perovskite phase and how the intermediate phase promotes growth of the perovskite grains during the fabrication process...
September 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28899098/heterodimers-made-of-upconversion-nanoparticles-and-metal-organic-frameworks
#17
Yifan Li, Zhenghan Di, Jinghong Gao, Ping Cheng, Chunzhi Di, Ge Zhang, Bei Liu, Xinghua Shi, Lingdong Sun, Lele Li, Chun-Hua Yan
Creating nanoparticle dimers has attracted extensive interest. However, it still remains a great challenge to synthesize heterodimers with asymmetric compositions and synergistically enhanced functions. In this work, we report the synthesis of high quality heterodimers composed of porphyrinic nanoscale metal-organic frameworks (nMOF) and lanthanide-doped upconversion nanoparticles (UCNPs). Due to the dual optical properties inherited from individual nanoparticles and their interactions, absorption of low energy photons by the UCNPs is followed by energy transfer to the nMOFs, which then undergo activation of porphyrins to generate singlet oxygen...
September 12, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28898654/plant-cell-walls
#18
Herman Höfte, Aline Voxeur
Plants are able to generate large leaf surfaces that act as two-dimensional solar panels with a minimum investment in building material, thanks to a hydrostatic skeleton. This requires high intracellular pressures (up to 1 MPa), which depend on the presence of strong cell walls. The walls of growing cells (also called primary walls), are remarkably able to reconcile extreme tensile strength (up to 100 MPa) with the extensibility necessary for growth. All walled organisms are confronted with this dilemma - the need to balance strength and extensibility - and bacteria, fungi and plants have evolved independent solutions to cope...
September 11, 2017: Current Biology: CB
https://www.readbyqxmd.com/read/28898576/low-temperature-solution-processed-random-silver-nanowire-as-promising-replacement-for-indium-tin-oxide
#19
Arastoo Teymouri, Supriya Pillai, Zi Ouyang, Xiaojing Hao, Fangyang Liu, Chang Yan, Martin A Green
A low temperature solution-based process for depositing silver nanowire (AgNW) networks for use as transparent conductive electrode is demonstrated. These AgNWs when applied to Cu2ZnSnS4 solar cells out-performed indium tin oxide as the top electrode. Thinner nanowires allow the use of lower temperatures during processing while longer wires allow lowered sheet resistance for the same surface coverage of NWs, enhancing the transmittance/conductance trade-off. Conductive atomic force microscopy and percolation theory were used to study the quality of the NW network at the microscale...
September 12, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28898043/orthogonally-functionalized-donor-acceptor-homo-and-heterodimeric-dyes-for-dye-sensitized-solar-cells-an-approach-to-introduce-panchromaticity-and-control-the-charge-recombination
#20
Manik Chandra Sil, Vediappan Sudhakar, Munavvar Fairoos Mele Kavungathodi, Vellimalai Punitharasu, Jayaraj Nithyanandhan
Organic dyes possessing conjugated π-framework forms closely packed monolayers on photoanode in dye-sensitized solar cell (DSSC), because of the limitation to control the orientation and the extend of intermolecular π-π interaction, self-aggregation of dyes leads to reduced cell performance. In this report, a series of homodimeric (D1-D1 and D2-D2) and heterodimeric (D1-D2 and D2-D4) donor/acceptor (D/A) dyes containing spiroBiProDOT π-spacer were designed and synthesized by utilizing Pd-catalyzed direct arylation reaction and correlates the device performance with monomeric dyes (D1 and D2)...
September 12, 2017: ACS Applied Materials & Interfaces
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