Introduction to Dihydroxy Amino Thiophene

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10.1007/s00894-021-04827-9

In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated organic polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (fluorine and chlorine), combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB).

DFT study of new organic materials based on PEDOT and 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine

10.21203/RS.3.RS-261912/V1

In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (Fluorine and Chlorine) combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzamine (DATVB).

DFT study of new organic materials based on PEDOT and 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzanamine

10.1007/S42452-021-04277-1

In the present work, density functional theory was used at the B3LYP, CAM-B3LYP and B3PW91 levels with the 6–311 +  + G (d, p) basis set, in other to study the structural, optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB) molecule doped with chlorine and fluorine respectively.

A density functional theory (DFT) study of the doping effect on 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine

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Dihydroxy Amino Thiophene
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What is/are Amino Thiophene?

Amino Thiophene - In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated organic polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (fluorine and chlorine), combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB). [1] In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (Fluorine and Chlorine) combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzamine (DATVB). [2] In the present work, density functional theory was used at the B3LYP, CAM-B3LYP and B3PW91 levels with the 6–311 +  + G (d, p) basis set, in other to study the structural, optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB) molecule doped with chlorine and fluorine respectively. [3]

4 2 2

In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated organic polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (fluorine and chlorine), combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB). [1] In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (Fluorine and Chlorine) combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzamine (DATVB). [2] In the present work, density functional theory was used at the B3LYP, CAM-B3LYP and B3PW91 levels with the 6–311 +  + G (d, p) basis set, in other to study the structural, optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB) molecule doped with chlorine and fluorine respectively. [3]

Dihydroxy Amino Thiophene

In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated organic polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (fluorine and chlorine), combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB). [1] In the present study, we theoretically determine the optoelectronic, electronic, nonlinear optical (NLO) and thermodynamic properties of new materials from the conjugated polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with halogens (Fluorine and Chlorine) combined with the organic semiconductor 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzamine (DATVB). [2] In the present work, density functional theory was used at the B3LYP, CAM-B3LYP and B3PW91 levels with the 6–311 +  + G (d, p) basis set, in other to study the structural, optoelectronic, nonlinear optical, piezoelectric and thermodynamic properties of 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine (DATVB) molecule doped with chlorine and fluorine respectively. [3]