Modelling of P3HT:PCBM interface using coarse-grained forcefield derived from accurate atomistic forcefield.

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Modelling of P3HT:PCBM interface using coarse-grained forcefield derived from accurate atomistic forcefield. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C3CP54308K
P698PubMed publication ID24469762

P50authorStefan AdamsQ47503709
P2093author name stringT T To
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Polymer Photovoltaic Cells: Enhanced Efficiencies via a Network of Internal Donor-Acceptor HeterojunctionsQ56426804
2.5% efficient organic plastic solar cellsQ56474683
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Interdiffusion of PCBM and P3HT Reveals Miscibility in a Photovoltaically Active BlendQ57379577
Polymer–fullerene bulk heterojunction solar cellsQ57654115
A Phase Diagram of the P3HT:PCBM Organic Photovoltaic System: Implications for Device Processing and PerformanceQ57761906
Accurate Poly(3-hexylthiophene) Forcefield from First-Principle ModelingQ58176340
Effects of Postproduction Treatment on Plastic Solar CellsQ58912854
Influence of the solvent on the crystal structure of PCBM and the efficiency of MDMO-PPV:PCBM ‘plastic’ solar cellsQ58912888
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setQ26778418
Projector augmented-wave methodQ26778419
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Phase diagram of P3HT/PCBM blends and its implication for the stability of morphology.Q46153806
Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications.Q46222297
Drastic change of molecular orientation in a thiazolothiazole copolymer by molecular-weight control and blending with PC61BM leads to high efficiencies in solar cells.Q47334595
The structure of the c60 molecule: x-ray crystal structure determination of a twin at 110 k.Q48648114
Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells.Q51505602
P3HT/PCBM bulk heterojunction organic photovoltaics: correlating efficiency and morphology.Q51622520
Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers.Q53443529
A model for the orientational order in liquid crystalsQ56050652
P433issue10
P407language of work or nameEnglishQ1860
P304page(s)4653-4663
P577publication date2014-03-01
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titleModelling of P3HT:PCBM interface using coarse-grained forcefield derived from accurate atomistic forcefield
P478volume16

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cites work (P2860)
Q37257606Addition of P3HT-grafted Silica nanoparticles improves bulk-heterojunction morphology in P3HT-PCBM blends
Q30842159Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations
Q42909950Frequency selectivity in pulse responses of Pt/poly(3-hexylthiophene-2,5-diyl)/polyethylene oxide +Li+/Pt hetero-junction
Q58176095Molecular dynamics simulations of cation-controlled aggregation in fluorene-triarylamine copolymers
Q58176169Monte Carlo morphological modelling of a P3HT:PCBM bulk heterojunction organic solar cell

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