Concentration effects on intrachain polaron recombination in conjugated polymers
文献情報
Luiz Antonio Ribeiro Junior, Wiliam Ferreira da Cunha, Antonio Luciano de Almeida Fonseca, Ricardo Gargano, Geraldo Magela e Silva
The influence of different charge carrier concentrations on the recombination dynamics between oppositely charged polarons is numerically investigated using a modified version of the Su–Schrieffer–Heeger (SSH) model that includes an external electric field and electron–electron interactions. Our findings show that the external electric field can play the role of avoiding the formation of excited states (polaron–exciton and neutral excitation) leading the system to a dimerized lattice. Interestingly, depending on a suitable balance between the polaron concentration and the electric field strength, the recombination mechanism can form stable polaron–excitons or neutral excitations. These results may provide guidance to improve the electroluminescence efficiency in Polymer Light Emitting Diodes.
関連文献
On the lack of evolutionary continuity between prebiotic peptides and extant enzymes
Luciana Raggi, Jeffrey L. Bada, Antonio Lazcano
DOI: 10.1039/C6CP00793G
Interlayer coupling in two-dimensional titanium carbide MXenes
Chao Zhang, Jingyang Wang, Xiaohui Wang
DOI: 10.1039/C6CP01699E
The unique Raman fingerprint of boron nitride substitution patterns in graphene
Marco Lorenz, Daniele Pullini, Mauro Sgroi
DOI: 10.1039/C6CP02101H
The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding
Rabindranath Lo, Jindřich Fanfrlík, Martin Lepšík
DOI: 10.1039/C5CP03617H
Transition from exohedral to endohedral structures of AuGen− (n = 2–12) clusters: photoelectron spectroscopy and ab initio calculations
Sheng-Jie Lu, Lian-Rui Hu, Xi-Ling Xu, Hong-Guang Xu, Hui Chen, Wei-Jun Zheng
DOI: 10.1039/C6CP00373G
Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies
Sumit Kumar Panja, Nidhi Dwivedi, Satyen Saha
DOI: 10.1039/C6CP03797F
Light-induced water splitting by titanium-tetrahydroxide: a computational study
Andranik Kazaryan, Rutger van Santen, Evert Jan Baerends
DOI: 10.1039/C5CP01812A
Topography evolution of 500 keV Ar4+ ion beam irradiated InP(100) surfaces – formation of self-organized In-rich nano-dots and scaling laws
Indra Sulania, Dinesh C. Agarwal, Manish Kumar, Sunil Kumar, Pravin Kumar
DOI: 10.1039/C6CP03409H
Evaluation of the energy barrier for failure of Au atomic contact based on temperature dependent current–voltage characteristics
Akira Aiba, Satoshi Kaneko, Shintaro Fujii, Tomoaki Nishino, Manabu Kiguchi
DOI: 10.1039/C6CP03437C
A ‘bottom up’, ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs
Barbara Marchetti, Michael N. R. Ashfold, Wolfgang Domcke
DOI: 10.1039/C6CP00165C
こちらもおすすめ
1-{3-[5-(エチルカルボンイル)-2,4-ジメチル-1H-ピロロール-3-基]プロパニル}ピペリジン-4-カルボン酸について、適用される法規ガイドラインは何ですか?
この化合物はCAS番号1142209-81-1であり、GHS分類では corrosive (腐食性物質) と classified (分類物質) として指定され...
2,2-二氟-1,3-ベンゾジオキサン-5-カルボキシlic酸とは何ですか?
2,2-二氟-1,3-ベンゾジオキサン-5-カルボキシlic酸は、CAS番号656-46-2の化合物で、化学式はC8H4F2O4です。この化合物は白色の結晶性粉...
8-氯-4-色原酮の代替品はありますか?
8-氯-4-色原酮(CAS番号: 49701-11-3)の代替品には、他の色原酮類似物や、構造が似ている化合物があります。例えば、8-メチル-4-色原酮や、他の...
エチル6,6-ジメチル-4,5,6,7-テトラヒドロ-1H-インドアゼー-3-カルボキシレートとは何ですか?
エチル6,6-ジメチル-4,5,6,7-テトラヒドロ-1H-インドアゼー-3-カルボキシレートは、CAS番号1233243-56-5を有する化合物です。これは有...
4-叔丁基-6-氯-嘧啶に適用される法規ガイドラインは何ですか?
4-叔丁基-6-氯-嘧啶はCAS番号3435-24-3で、GHS分類では毒性物質とみなし、GHSの危険性分類が適用されます。REACH規則では登録が必要で、Eu...
維库溴铵杂质Bはどのように合成されますか?
維库溴铵杂质Bは、アンドロステンデンから始まり、一連の合成反応、包括的な選択性と高い収率で合成されます。具体的には、ブロミド化、酸化、ジマーゼ反応、アミド化など...
2-(4-氟苄基)-吡咯烷の物理化学的性質は何ですか?
CAS番号350017-04-8の2-(4-氟苄基)-吡咯烷は、結晶性の白色粉末です。分子量は199.17 g/molで、水に溶けにくいです。化学反応では比較的...
3-喹啉甲醛(2-チロール-8-エチル)は安全ですか?
3-喹啉甲醛(2-チロール-8-エチル)は一定の毒性を持つため、取扱には注意が必要です。使用する際は適切な防護具を着用し、密閉容器で保管・搬送し、直接的な接触を...
エチル3-(ヒドロキシメチル)-1H-ピロール-2-カルボキシレートはどのように保存すればよいですか?
エチル3-(ヒドロキシメチル)-1H-ピロール-2-カルボキシレートは、室温(25℃)以下で保存し、直射日光を避け、乾燥した環境で保管することが推奨されます。ま...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














