【摘 要】
:
In this works,based on the reported polymer PCPDTTTTz(Pa1)[1] which includes electron-rich cyclopenta[2,1-b:3,4-b]dithiophene(CPDT),electron-withdrawing tetrazine(Tz)and bridge thiophene(T),we replace
【机 构】
:
School of Chemistry and Chemical Engineering,Southwest University,Chongqing 400715,China
论文部分内容阅读
In this works,based on the reported polymer PCPDTTTTz(Pa1)[1] which includes electron-rich cyclopenta[2,1-b:3,4-b]dithiophene(CPDT),electron-withdrawing tetrazine(Tz)and bridge thiophene(T),we replaced CPDT with electron-rich dithienocyclopentadithiophene(DTTC),dithienosiloledithiophene(DTTSi)and dithienogermolodithiophene(DTTGe)in Pa1,and designed three(D-A)copolymers(Pa2,Pa3 and Pa4 as shown in Fig.1)in order to modify the electron-rich unit in D-A copolymers to improve the intrinsic properties of polymers for organic solar cell applications.The calculated results reveal that the designed polymers exhibit a lower orbital energy levels,a stronger and wider optical absorption,and good hole transport properties in comparison with that of Pa1.These results clearly indicated that the designed D-A copolymers Pa2-Pa4 based on C-,Si-and Ge-bridged thieno[3,2-b]dithiophene yield a good electronic and photophysical properties and thereby may act as a promising donor candidate for organic solar cell applications.
其他文献
Dimeric(RuPz)2 complex,modeling experimentally known dimers of(RuPor)2 and(RuPc)2,as well as its monomeric RuPz have been investigated using density functional theory[1].Pz,Por and Pc denote porphyraz
Group VIB transition metal sulfides have widely industrial applications,such as solid lubricant,hydrogen storage,solar water splitting cells,petroleum refining catalyst and so on.The current study rep
A beryllium bond is an intermolecular attraction between a beryllium atom with partial positive charge and an electronegative region in acceptor molecule.An unpaired electron in a radical molecule,suc
The formation of seven types of coordination compounds containning metallacyclobutadienes(MCBS)from chloro-ligated alkylidyne structures of group 4 and 6 transition metals(MCln(C3H3))have been studied
We have designed a family of complexes by coordination of hydrocarbon radicals to group 6 transition metals,which are M(OMe)3η3-C4H5,M(OMe)3η3-C6H7,M(OMe)3η3-C8H7,M(OMe)3η3-C9H5,M(OMe)3η3-C12H9,M(OMe)
Monometallic(UO2)(X)2(L)3(L = pyridine(py),X = F(1),Cl(2),Br(3)and I(4); L = tetrahydrofuran(thf),X = Cl(5); L = pyrrole(pl),X = Cl(6))as well as bimetallic [(UO2)(μ2-X)(X)(L)2]2(L = py,X = F(7),Cl(8)
Using density functional theory B3LYP and BP86 functional in combination with LANL2DZ(f)basis sets for Au and Ag atoms and 6-311+G** basis set for H,B,C N and O atoms,we have investigated the structur
Human oxidosqualene cyclase(OSC)plays a key role in cholesterol biosynthesis.It can catalyze the linear-chain 2,3-oxidosqualene to form four-rings lanosterol,which is the precursor of cholesterol.As t
This work reports a theoretical study concerning the effects of different anchoring groups(carboxylic,hydroxamic,and phosphoric anchors)on the optical properties and electron-hole quantum dynamics in
Recently,the mixed monolayer-protected Au nanoparticles(MPANs)have received much attention due to their potential applications in biosensing,catalysis,drug delivery,and molecular recognition,since mor