Solution-Phase Conformation and Dynamics of Conjugated Isoindigo-Based Donor–Acceptor Polymer Single Chains
نویسندگان
چکیده
منابع مشابه
Dynamics of short polymer chains in solution
– We present numerical and analytical results describing the effect of hydrodynamic interactions on the dynamics of a short polymer chain in solution. A molecular dynamics algorithm for the polymer is coupled to a direct simulation Monte Carlo algorithm for the solvent. We give an explicit expression for the velocity autocorrelation function of the centre of mass of the polymer which agrees wel...
متن کاملDynamics of Forster Energy Migration Across Polymer Chains in Solution
Long distance excitation energy transfer between a donor and an acceptor embedded in a polymer chain is usually assumed to occur via the Forster mechanism which predicts a R distance dependence of the transfer rate, where R is the distance between the donor and the acceptor. In solution R fluctuates with time. In this work, a Brownian dynamics simulation of a polymer chain with Forster energy t...
متن کاملA transformation process and mechanism between the α-conformation and β-conformation of conjugated polymer PFO in precursor solution.
In this work, the solvent field and temperature are used to explore the mutual transformation dynamic process and mechanism between the α-conformation and β-conformation in poly(9,9-dioctylfluorene) (PFO) precursor solution. The conformational transformation of the PFO chain is researched by UV-vis absorption spectra and the proportions of the β-conformation are quantitatively calculated. The c...
متن کاملPhase Transitions of Single Semi-stiff Polymer Chains
We study numerically a lattice model of semiflexible homopolymers with nearest neighbor attraction and energetic preference for straight joints between bonded monomers. For this we use a new Monte Carlo algorithm, the ‘Pruned-Enriched Rosenbluth Method’ (PERM). It is very efficient both for relatively open configurations at high temperatures, and for compact and frozen-in low-T states. This all...
متن کاملExcitons in two coupled conjugated polymer chains
We have studied the exciton states in two coupled conjugated polymer chains which are modeled individually by the Su-Schrieffer-Heeger Hamiltonian and coupled by an interchain electron-transfer term. Both the intraand interchain long range Coulomb interactions are taken into account. The properties of the lowest symmetric and antisymmetric exciton states are extensively discussed for both the p...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2017
ISSN: 1948-7185
DOI: 10.1021/acs.jpclett.7b02360