Zobrazeno 1 - 10
of 50
pro vyhledávání: '"Chi C. Hua"'
Autor:
Ching H. Wu, Chi C. Hua
Publikováno v:
Macromolecules. 55:5382-5389
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c9d95932663208c99c8ccbaaf8b2520
https://doi.org/10.1021/acs.macromol.2c00727
https://doi.org/10.1021/acs.macromol.2c00727
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(20)
Using poly(3-hexylthiophene) (P3HT) as a model conjugated polymer and atomistic molecular dynamics simulations with carefully verified force fields, we performed in-depth investigations of solvation shell properties of P3HT chains (15 repeating units
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6201235d08229f57f47f4e452fd2d0e3
https://pubmed.ncbi.nlm.nih.gov/34008625
https://pubmed.ncbi.nlm.nih.gov/34008625
Publikováno v:
Macromolecules. 50:5498-5509
Contrasting mesoscale aggregate features of a promising conjugated polymer, poly(2,5-bis(3-tetradecylthiophene-2-yl)thieno[3,2-b]thiophenes) (pBTTT-C14), that result from the use of two slightly different aromatic solvents, i.e., toluene and chlorobe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25878df6066f6a549248455f958eec2c
https://doi.org/10.1021/acs.macromol.7b00790
https://doi.org/10.1021/acs.macromol.7b00790
Autor:
Chi C. Hua, Chun I Wang
Publikováno v:
The Journal of Physical Chemistry B. 119:14496-14504
The ability to correlate fullerene solubility with experimentally or computationally accessible parameters can significantly facilitate nanotechnology nowadays for a wide range of applications, while providing crucial insight into optimum design of f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::167675262c433f57c177da6751f69a81
https://doi.org/10.1021/acs.jpcb.5b07399
https://doi.org/10.1021/acs.jpcb.5b07399
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(31)
For π-conjugated polymers, the notion of spectroscopic units or "chromophores" provides illuminating insights into the experimentally observed absorption/emission spectra and the mechanisms of energy/charge transfer. To date, however, no statistical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47a9c18ec08f8fdbbe8f80dc8555ba8a
https://pubmed.ncbi.nlm.nih.gov/28744545
https://pubmed.ncbi.nlm.nih.gov/28744545
Publikováno v:
Macromolecules. 46:1932-1938
Highly efficient and prolonged coarse-grained molecular dynamics simulations revealed a previously unknown pathway of phase transition of (poor-solvent) conjugated polymer solutions, evolving from a rarely explored entangled state into elastic microg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90047947812ecd76aff7feec5c23a983
https://doi.org/10.1021/ma302343e
https://doi.org/10.1021/ma302343e
Publikováno v:
Macromolecular Theory and Simulations. 19:179-189
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43c9a88575ccb261478cdeb64e324a7e
https://doi.org/10.1002/mats.200900075
https://doi.org/10.1002/mats.200900075
Publikováno v:
The Journal of Physical Chemistry B. 113:15937-15948
Innovation in modern material science exploiting conducting conjugated polymers imperatively demands fundamental knowledge of single-chain conformations from solution to the quenching state. This urgent goal, however, poses a stringent challenge to e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a12a1358b8b35eb491a872366ad4a0c6
https://doi.org/10.1021/jp907338j
https://doi.org/10.1021/jp907338j
Autor:
Yu Ho Wen, Chi C. Hua
Publikováno v:
Journal of Rheology. 53:781-798
Non-reversing and reversing double-step strain flows on concentrated entangled polystyrene in diethyl phthalate or tricresyl phosphate were employed to characterize transient entanglement properties affecting subsequent chain stretch and relaxation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::038cda70fb4ef6f8cc8b1738d4df4fdc
https://doi.org/10.1122/1.3119023
https://doi.org/10.1122/1.3119023
Publikováno v:
Macromolecular Theory and Simulations. 16:111-122
We propose a self-consistent coarse-graining procedure for realistic Brownian dynamics simulations of dilute solutions consisting of van der Waals force-driven aggregated polymer chains. A specific application investigated here concerns mesoscale agg
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6c46710193db6674e60ae9ca5780788
https://doi.org/10.1002/mats.200600060
https://doi.org/10.1002/mats.200600060