Side-chain engineering for fine-tuning of molecular packing and nanoscale blend morphology in polymer photodetectors

2017 ◽  
Vol 8 (13) ◽  
pp. 2055-2062 ◽  
Author(s):  
Liuyong Hu ◽  
Wenqiang Qiao ◽  
Xiaokang Zhou ◽  
Jinfeng Han ◽  
Xiaoqin Zhang ◽  
...  
Keyword(s):  
Molecular Packing ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains ◽  
Low Bandgap ◽  
Blend Morphology

Enhancing the performance of polymer photodetectors by finely tuning the side chains of low-bandgap polymers.

Green solvent-processed efficient non-fullerene organic solar cells enabled by low-bandgap copolymer donors with EDOT side chains

2019 ◽  
Vol 7 (2) ◽  
pp. 716-726 ◽  
Author(s):  
Chentong Liao ◽  
Ming Zhang ◽  
Xiaopeng Xu ◽  
Feng Liu ◽  
Ying Li ◽  
...  
Keyword(s):  
Solar Cells ◽  
Energy Level ◽  
Organic Solar Cells ◽  
Carrier Mobility ◽  
Side Chain ◽  
Ternary Blend ◽  
Side Chains ◽  
Green Solvent ◽  
Low Bandgap ◽  
Blend Morphology

By a combination of side chain and ternary blend strategies, novel BDT-TT-based copolymer donors were developed to improve the green solvent solubility, crystallinity, energy level, carrier mobility and blend morphology. Non-fullerene binary and ternary blend devices based on PTB-EDOTS exhibited high PCEs of 10.18% and 12.26%, respectively.

Donor polymer based on alkylthiophene side chains for efficient non-fullerene organic solar cells: insights into fluorination and side chain effects on polymer aggregation and blend morphology

2018 ◽  
Vol 6 (46) ◽  
pp. 23270-23277 ◽  
Author(s):  
Jing Liu ◽  
Lik-Kuen Ma ◽  
Zhengke Li ◽  
Huawei Hu ◽  
Fu Kit Sheong ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Synergistic Effects ◽  
Side Chain ◽  
Side Chains ◽  
Blend Morphology

The synergistic effects of overfluorination and alkylthiophene side chain strategies led to 10.60% efficiency for non-fullerene organic solar cells.

Synergy strategy to the flexible alkyl and chloride side-chain engineered quinoxaline-based D–A conjugated polymers for efficient non-fullerene polymer solar cells

2021 ◽  
Author(s):  
Liang Zeng ◽  
Ruijie Ma ◽  
Qiang Zhang ◽  
Tao Liu ◽  
Yiqun Xiao ◽  
...  
Keyword(s):  
Solar Cells ◽  
Conjugated Polymers ◽  
Halogen Atom ◽  
Polymer Solar Cells ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains

We are developing both copolymers with quinoxaline (Qx) as acceptor units by fine tuning the side chains with halogen atom chlorine (Cl) and flexible alkyl engineering for efficient non-fullerene polymer solar cells.

Influence of polymer side chains on the photovoltaic performance of non-fullerene organic solar cells

2017 ◽  
Vol 5 (4) ◽  
pp. 937-942 ◽  
Author(s):  
Xue Gong ◽  
Guangwu Li ◽  
Shiyu Feng ◽  
Liangliang Wu ◽  
Yahui Liu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Energy Level ◽  
Organic Solar Cells ◽  
Photovoltaic Performance ◽  
Great Influence ◽  
Molecular Packing ◽  
Side Chains ◽  
Blend Morphology

The side chains of polymers had a great influence on their molecular packing, energy level, blend morphology and photovoltaic performance. The PCEs of 7.28% and 1.55% were obtained for alkoxy and alkylthio-substituted polymer based non-fullerene solar cells, respectively.

Fine-tuning the side-chains of non-fullerene small molecule acceptors to match with appropriate polymer donors

2018 ◽  
Vol 6 (18) ◽  
pp. 8586-8594 ◽  
Author(s):  
Meijia Chang ◽  
Yunchuang Wang ◽  
Yuan-Qiu-Qiang Yi ◽  
Xin Ke ◽  
Xiangjian Wan ◽  
...  
Keyword(s):  
Small Molecule ◽  
Organic Photovoltaics ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains ◽  
Donor And Acceptor

Side-chain engineering of donor and acceptor materials is an important topic in the field of organic photovoltaics.

Systematic structure modification of a low bandgap conjugated polymer improves thin film morphology and photovoltaic performance by incorporating naphthalene into side chains

2015 ◽  
Vol 3 (29) ◽  
pp. 7669-7676 ◽  
Author(s):  
Ying Sun ◽  
Chao Zhang ◽  
Qizan Huang ◽  
Bin Dai ◽  
Baoping Lin ◽  
...  
Keyword(s):  
Thin Film ◽  
Active Layer ◽  
Conjugated Polymer ◽  
Photovoltaic Performance ◽  
Side Chain ◽  
Side Chains ◽  
Film Morphology ◽  
Structure Modification ◽  
Low Bandgap ◽  
Systematic Structure

A naphthalene group was incorporated into the polymer side chain to help the active layer spontaneously form good film morphology.

Rational design of conjugated side chains for high-performance all-polymer solar cells

2018 ◽  
Vol 3 (1) ◽  
pp. 103-112 ◽  
Author(s):  
Wei Huang ◽  
Meilin Li ◽  
Fengyuan Lin ◽  
Yang Wu ◽  
Zhifan Ke ◽  
...  
Keyword(s):  
Solar Cells ◽  
Phase Separation ◽  
High Performance ◽  
Rational Design ◽  
Polymer Solar Cells ◽  
Energy Levels ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains

High-performance all-polymer solar cells were developed by employing an asymmetric benzo[1,2-b:4,5-b′]dithiophene unit with one thiophene and one 4-methoxythiophene conjugated side chain in the donor polymer, which enabled fine-tuning of energy levels and phase separation.

Fine-tuning blend morphology via alkylthio side chain engineering towards high performance non-fullerene polymer solar cells

2018 ◽  
Vol 696 ◽  
pp. 19-25 ◽  
Author(s):  
Ling Li ◽  
Liuliu Feng ◽  
Jun Yuan ◽  
Hongjian Peng ◽  
Yingping Zou ◽  
...  
Keyword(s):  
Solar Cells ◽  
High Performance ◽  
Polymer Solar Cells ◽  
Fine Tuning ◽  
Side Chain ◽  
Blend Morphology

Influence of Flexible Side-Chains on the Breathing Phase Transition of Pillared Layer MOFs: A Force Field Investigation

2020 ◽  
Author(s):  
Julian Keupp ◽  
Johannes P. Dürholt ◽  
Rochus Schmid
Keyword(s):  
First Principles ◽  
Good Accuracy ◽  
Field Investigation ◽  
Square Lattice ◽  
Side Chain ◽  
Second Step ◽  
Side Chains ◽  
Dynamics Simulations ◽  
Complex Phenomena ◽  
Closed Pore

The prototypical pillared layer MOFs, formed by a square lattice of paddle-<br>wheel units and connected by dinitrogen pillars, can undergo a breathing phase<br>transition by a “wine-rack” type motion of the square lattice. We studied this not<br>yet fully understood behavior using an accurate first principles parameterized force<br>field (MOF-FF) for larger nanocrystallites on the example of Zn 2 (bdc) 2 (dabco) [bdc:<br>benzenedicarboxylate, dabco: (1,4-diazabicyclo[2.2.2]octane)] and found clear indi-<br>cations for an interface between a closed and an open pore phase traveling through<br>the system during the phase transformation [Adv. Theory Simul. 2019, 2, 11]. In<br>conventional simulations in small supercells this mechanism is prevented by periodic<br>boundary conditions (PBC), enforcing a synchronous transformation of the entire<br>crystal. Here, we extend this investigation to pillared layer MOFs with flexible<br>side-chains, attached to the linker. Such functionalized (fu-)MOFs are experimen-<br>tally known to have different properties with the side-chains acting as fixed guest<br>molecules. First, in order to extend the parameterization for such flexible groups,<br>1a new parametrization strategy for MOF-FF had to be developed, using a multi-<br>structure force based fit method. The resulting parametrization for a library of<br>fu-MOFs is then validated with respect to a set of reference systems and shows very<br>good accuracy. In the second step, a series of fu-MOFs with increasing side-chain<br>length is studied with respect to the influence of the side-chains on the breathing<br>behavior. For small supercells in PBC a systematic trend of the closed pore volume<br>with the chain length is observed. However, for a nanocrystallite model a distinct<br>interface between a closed and an open pore phase is visible only for the short chain<br>length, whereas for longer chains the interface broadens and a nearly concerted trans-<br>formation is observed. Only by molecular dynamics simulations using accurate force<br>fields such complex phenomena can be studied on a molecular level.

scholarly journals Effects of Amino Acid Side-Chain Length and Chemical Structure on Anionic Polyglutamic and Polyaspartic Acid Cellulose-Based Polyelectrolyte Brushes

Polymers ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1789
Author(s):  
Dmitry Tolmachev ◽  
George Mamistvalov ◽  
Natalia Lukasheva ◽  
Sergey Larin ◽  
Mikko Karttunen
Keyword(s):  
Glutamic Acid ◽  
Chain Length ◽  
Chemical Structure ◽  
Side Chain ◽  
Side Chains ◽  
Side Chain Length ◽  
Polyelectrolyte Brushes ◽  
Grafting Density ◽  
The Difference ◽  
Cellulose Surface

We used atomistic molecular dynamics (MD) simulations to study polyelectrolyte brushes based on anionic α,L-glutamic acid and α,L-aspartic acid grafted on cellulose in the presence of divalent CaCl2 salt at different concentrations. The motivation is to search for ways to control properties such as sorption capacity and the structural response of the brush to multivalent salts. For this detailed understanding of the role of side-chain length, the chemical structure and their interplay are required. It was found that in the case of glutamic acid oligomers, the longer side chains facilitate attractive interactions with the cellulose surface, which forces the grafted chains to lie down on the surface. The additional methylene group in the side chain enables side-chain rotation, enhancing this effect. On the other hand, the shorter and more restricted side chains of aspartic acid oligomers prevent attractive interactions to a large degree and push the grafted chains away from the surface. The difference in side-chain length also leads to differences in other properties of the brush in divalent salt solutions. At a low grafting density, the longer side chains of glutamic acid allow the adsorbed cations to be spatially distributed inside the brush resulting in a charge inversion. With an increase in grafting density, the difference in the total charge of the aspartic and glutamine brushes disappears, but new structural features appear. The longer sides allow for ion bridging between the grafted chains and the cellulose surface without a significant change in main-chain conformation. This leads to the brush structure being less sensitive to changes in salt concentration.

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