• 제목/요약/키워드: HOMO energy

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염료감응형 광전기화학 물분해 전지용 Tri-branched tri-anchoring organic dye 개발 (Tri-branched tri-anchoring organic dye for Visible light-responsive dye-sensitized photoelectrochemical water-splitting cells)

  • 박정현;김재홍;안광순
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2010년도 춘계학술대회 초록집
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    • pp.87-87
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    • 2010
  • Photoelectrochemical (PEC) systems are promising methods of producing H2 gas using solar energy in an aqueous solution. The photoelectrochemical properties of numerous metal oxides have been studied. Among them, the PEC systems based on TiO2 have been extensively studied. However, the drawback of a PEC system with TiO2 is that only ultraviolet (UV) light can be absorbed because of its large band gap (3.2 - 3.4 eV). Two approaches have been introduced in order to use PEC cells in the visible light region. The first method includes doping impurities, such as nitrogen, into TiO2, and this technique has been extensively studied in an attempt to narrow the band gap. In comparison, research on the second method, which includes visible light water splitting in molecular photosystems, has been slow. Mallouk et al. recently developed electrochemical water-splitting cells using the Ru(II) complex as the visible light photosensitizer. the dye-sensitized PEC cell consisted of a dye-sensitized TiO2 layer, a Pt counter electrode, and an aqueous solution between them. Under a visible light (< 3 eV) illumination, only the dye molecule absorbed the light and became excited because TiO2 had the wide band gap. The light absorption of the dye was followed by the transfer of an electron from the excited state (S*) of the dye to the conduction band (CB) of TiO2 and its subsequent transfer to the transparent conducting oxide (TCO). The electrons moved through the wire to the Pt, where the water reduction (or H2 evolution) occurred. The oxidized dye molecules caused the water oxidation because their HOMO level was below the H2O/O2 level. Organic dyes have been developed as metal-free alternatives to the Ru(II) complexes because of their tunable optical and electronic properties and low-cost manufacturing. Recently, organic dye molecules containing multi-branched, multi-anchoring groups have received a great deal of interest. In this work, tri-branched tri-anchoring organic dyes (Dye 2) were designed and applied to visible light water-splitting cells based on dye-sensitized TiO2 electrodes. Dye 2 had a molecular structure containing one donor (D) and three acceptor (A) groups, and each ended with an anchoring functionality. In comparison, mono-anchoring dyes (Dye 1) were also synthesized. The PEC response of the Dye 2-sensitized TiO2 film was much better than the Dye 1-sensitized or unsensitized TiO2 films.

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Synthesis and Photovoltaic Properties of Alternating Conjugated Polymers Derived from Thiophene-Benzothiadiazole Block and Fluorene/Indenofluorene Units

  • Li, Jianfeng;Tong, Junfeng;Zhang, Peng;Yang, Chunyan;Chen, Dejia;Zhu, Yuancheng;Xia, Yangjun;Fan, Duowang
    • Bulletin of the Korean Chemical Society
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    • 제35권2호
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    • pp.505-512
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    • 2014
  • A new donor-accepter-donor-accepter-donor (D-A-D-A-D) type 2,1,3-benzothiadiazole-thiophene-based acceptor unit 2,5-di(4-(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl)thiophene ($DTBTTBr_2$) was synthesized. Copolymerized with fluorene and indeno[1,2-b]fluorene electron-rich moieties, two alternating narrow band gap (NBG) copolymers PF-DTBTT and PIF-DTBTT were prepared. And two copolymers exhibit broad and strong absorption in the range of 300-700 nm with optical band gap of about 1.75 eV. The highest occupied molecular orbital (HOMO) energy levels vary between -5.43 and -5.52 eV and the lowest unoccupied molecular orbital (LUMO) energy levels range from -3.64 to -3.77 eV. Potential applications of the copolymers as electron donor material and $PC_{71}BM$ ([6,6]-phenyl-$C_{71}$ butyric acid methyl ester) as electron acceptors were investigated for photovoltaic solar cells (PSCs). Photovoltaic performances based on the blend of PF-DTBTT/$PC_{71}BM$ (w:w; 1:2) and PIF-DTBTT/$PC_{71}BM$ (w:w; 1:2) with devices configuration as ITO/PEDOT: PSS/blend/Ca/Al, show an incident photon-to-current conversion efficiency (IPCE) of 2.34% and 2.56% with the open circuit voltage ($V_{oc}$) of 0.87 V and 0.90 V, short circuit current density ($J_{sc}$) of $6.02mA/cm^2$ and $6.12mA/cm^2$ under an AM1.5 simulator ($100mA/cm^2$). The photocurrent responses exhibit the onset wavelength extending up to 720 nm. These results indicate that the resulted narrow band gap copolymers are viable electron donor materials for polymer solar cells.

바티니에프 기본원리를 통해 본 양식 태극권에 관한 연구 (A study on Yang Shi Tai Chi Chuan in Bartenieff Fundamentals Perspectives)

  • 왕지권
    • 트랜스-
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    • 제8권
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    • pp.95-127
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    • 2020
  • 본 연구는 태극권 움직임에서 신체의 이완방법을 개발하기 위해 바티니에프 기본원리를 적용하여 태극권 움직임의 원리를 분석하였다. 이 연구과정을 통해 태극권과 바티니에프의 신체 움직임이 일맥상통한다는 것을 알 수 있었다. 첫째, 태극권과 바티니에프의 신체 움직임 철학 각도에서 살펴보면 두 기법의 궁극적인 목표는 모두 정신과 신체의 통합이다. 즉 동양의 심신일원론(心身一元論)과 서양의 신체자각(Body Awareness)이 일맥상통하였다. 둘째, 바티니에프가 제시한 호흡지지의 측면에서 살펴보면 두 기법은 모두 호흡을 통해 신체를 자연스럽게 움직이게 하고 각 부위를 이완시킨다. 태극권에서 기(氣)는 생명의 바탕이며 신(身)의 힘이다. 즉, 태극권의 호흡은 몸과 마음(Body- Mind)을 소통, 조화, 융화시킬 수 있는 것이다. 다시 말해서 태극권의 호흡은 정신적인 융합을 통하여 이루어지며 움직임에 영향을 주었다. 바티니에프의 호흡지지도 마찬가지다. 바티니에프의 호흡은 모든 관점에서 움직임에 영향을 주고 호흡은 몸의 내부와 외부의 형태를 모두 변화시킨다고 한다. 셋째, 바티니에프가 제시한 중심부지지의 측면에서 살펴보면 두 기법은 모두 중심을 강조하였다. 중심 지지를 의식하면서 움직이면 몸의 표면적인 근육보다는 좀 더 깊은 근육을 사용할 수 있으며 이를 통해 강하고 유연한 움직임을 가능하게 하였다. 태극권의 기침단전(氣沉丹田)은 의식적으로 복식호흡을 사용하고 힘을 중심으로 모은다. 이러한 운동을 할 때 중심은 더 안정되고 호흡 역시 순조로워진다. 넷째, 바티니에프 기본원리에서 제시한 회전적 요인의 측면에서 살펴보면 모두 회전을 사용한 움직임을 통해 신체 이완이라는 목적을 이루게 된다. 바티니에프의 회전적 요인은 축을 중심으로 3차원적으로 움직이는 관절운동이라는 특성을 인지함으로써 동작을 더욱 쉽게 하고 자유롭게 할 수 있었다. 태극권도 마찬가지다. 태극권은 원형과 나선형(Spiral Movement)의 움직임을 통해서 공간을 최대한 접근하고 매끄럽게 흐름을 전환해서 이완이라는 목적을 이루게 되었다. 다섯 번째, 코헨(Bonnie Bainbridge Cohen)의 Body-Mind Centering Work 이론을 토대로 바티네에프가 정립한 발달 모형의 각도에서 살펴보면 태극권의 움직임의 발전과정과 발달 모형에서 제시한의 호흡, 중심-말초부 연결 / 중앙 반사, 머리- 꼬리뼈 연결 / 척추의 움직임, 상체-하체 연결 / 상응하는 움직임, 신체의 반쪽 연결 / 동종 편측 연결, 교차 측면 연결 / 대측 연결 모두 일맥상통함을 알 수 있었다. 즉 태극권은 호흡을 통해 에너지를 중심으로 모으고, 요추를 통해 상체와 하체를 연결하며 움직임이 발전할 때 동종 편측 연결뿐만 아니라 교차 측면 연결을 할 수 있다. 이러한 연구를 통해 무용의 움직임을 자연스럽게 표현하고, 신체 자각을 토대로 중심축과 관절, 및 균형을 이용한 신체의 움직임 원리를 분석해낼 수 있었다.

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2,3-Dimethyl-5,8-dithiophen-2-yl-quinoxaline을 기본 골격으로 한 새로운 고분자 물질의 합성 및 광전변환특성 (Synthesis and Photovoltaic Properties of New π-conjugated Polymers Based on 2,3-dimethyl-5,8-dithiophen-2-yl-quinoxaline)

  • 신웅;박정배;박상준;조미영;서홍석;김주현
    • 공업화학
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    • 제22권1호
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    • pp.15-20
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    • 2011
  • 2,3-Dimethyl-5,8-dithiophen-2-yl-quinoxaline을 기본 골격으로 한 poly[2,3-dimethyl-5,8-dithiophene-2-yl-quinoxaline-alt-9,9-dihexyl-9H-fluorene] (PFTQT)과 poly[2,3-dimethyl-5,8-dithiophene-2-yl-quinoxaline-alt-10-hexyl-10H-phenothiazine] (PPTTQT)을 Suzuki coupling법을 이용하여 중합 하였다. 합성된 고분자들은 chloroform, chlorobenzene, o-dichlorobenzene, tetrahydrofuran (THF), toluene과 같은 유기용매에 대한 용해도가 우수하였고, PFTQT의 최대흡수파장과 밴드 갭은 각각 440 nm와 2.30 eV이고, PPTTQT의 경우는 각각 445 nm와 2.23 eV이었다. PFTQT의 HOMO 및 LUMO 에너지준위는 -6.05와 -3.75 eV이고, PPTTQT의 경우는 각각 -5.89와 -3.66 eV이었다. 합성된 고분자들과 전자 받개 물질인 (6)-1-(3-(methoxycarbonyl)-{5}-1-phenyl[5,6]-fullerene (PCBM)을 1 : 2의 중량비로 블렌딩하여 제작한 태양전지의 효율은 AM (air mass) 1.5 G, 1 sun 조건($100mA/cm^2$)에서 PFTQT는 0.24%, PPTTQT의 경우는 0.16%로 측정되었다. 그리고 소자의 단락전류 밀도($J_{sc}$), FF (fill factor)와 개방전압($V_{oc}$)은 PFTQT의 경우 각각 $0.97mA/cm^2$, 29%, 0.86 V이며, PPTTQT의 경우 각각 $0.80mA/cm^2$, 28%, 0.71 V이었다.

Poly(p-phenylenevinylene)s Derivatives Containing a New Electron-Withdrawing CF3F4Phenyl Group for LEDs

  • Jin, Young-Eup;Kang, Jeung-Hee;Song, Su-Hee;Park, Sung-Heum;Moon, Ji-Hyun;Woo, Han-Young;Lee, Kwang-Hee;Suh, Hong-Suk
    • Bulletin of the Korean Chemical Society
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    • 제29권1호
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    • pp.139-147
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    • 2008
  • New PPV derivatives which contain electron-withdrawing CF3F4phenyl group, poly[2-(2-ethylhexyloxy)-5-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)-1,4-phenylenevinylene] (CF3F4P-PPV), and poly[2-(4-(2-etylhexyloxy)-phenyl)-5-(2,3,5,6-tetrafluoro-4-trifluoromethylphenyl)-1,4-phenylenevinylene] (P-CF3F4P-PPV), have been synthesized by GILCH polymerization. As the result of the introduction of the electron-withdrawing CF3F4phenyl group to the phenyl backbone, the LUMO and HOMO energy levels of CF3F4P-PPV (3.14, 5.50 eV) and P-CF3F4P-PPV (3.07, 5.60 eV) were reduced. The PL emission spectra in solid thin film are more red-shifted over 50 nm and increased fwhm (full width at half maximum) than solution conditions by raising aggregation among polymer backbone due to electron withdrawing effect of 2,3,5,6-tetrafluoro-4-trifluoromethylphenyl group. The EL emission maxima of CF3F4P-PPV and P-CF3F4P-PPV appear at around 530-543 nm. The current density-voltage-luminescence (J-V-L) characteristics of ITO/PEDOT/polymer/Al devices of CF3F4P-PPV and P-CF3F4P-PPV show that turn-on voltages are around 12.5 and 7.0 V, and the maximum brightness are about 82 and 598 cd/m2, respectively. The maximum EL efficiency of P-CF3F4P-PPV (0.51 cd/A) was higher than that of CF3F4P-PPV (0.025 cd/A).

Nutrient Digestibility, Ruminal Fermentation Activities, Serum Parameters and Milk Production and Composition of Lactating Goats Fed Diets Containing Rice Straw Treated with Pleurotus ostreatus

  • Kholif, A.E.;Khattab, H.M.;El-Shewy, A.A.;Salem, A.Z.M.;Kholif, A.M.;El-Sayed, M.M.;Gado, H.M.;Mariezcurrena, M.D.
    • Asian-Australasian Journal of Animal Sciences
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    • 제27권3호
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    • pp.357-364
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    • 2014
  • The study evaluated replacement of Egyptian berseem clover (BC, Trifolium alexandrinum) with spent rice straw (SRS) of Pleurotus ostreatus basidiomycete in diets of lactating Baladi goats. Nine lactating homo-parity Baladi goats (average BW $23.8{\pm}0.4$ kg) at 7 d postpartum were used in a triplicate $3{\times}3$ Latin square design with 30 d experimental periods. Goats were fed a basal diet containing 0 (Control), 0.25 (SRS25) and 0.45 (SRS45) (w/w, DM basis) of SRS. The Control diet was berseem clover and concentrate mixture (1:1 DM basis). The SRS45 had lowered total feed intake and forages intake compared to Control. The SRS25 and SRS45 rations had the highest digestibilities of DM (p = 0.0241) and hemicellulose (p = 0.0021) compared to Control which had higher (p<0.01) digestibilities of OM (p = 0.0002) and CP (p = 0.0005) than SRS25 and SRS45. Ruminal pH and microbial protein synthesis were higher (p<0.0001) for SRS25 and SRS45 than Control, which also had the highest (p<0.0001) concentration of TVFA, total proteins, non-protein N, and ammonia-N. All values of serum constituents were within normal ranges. The Control ration had higher serum globulin (p = 0.0148), creatinine (p = 0.0150), glucose (p = 0.0002) and cholesterol (p = 0.0016). Both Control and SRS25 groups had the highest (p<0.05) milk (p = 0.0330) and energy corrected milk (p = 0.0290) yields. Fat content was higher (p = 0.0373) with SRS45 and SRS25 groups compared with Control. Replacement of BC with SRS in goat rations increased milk levels of conjugated linoleic acid and unsaturated fatty acids compared with Control. It was concluded that replacing 50% of Egyptian berseem clover with SRS in goat rations improved their productive performance without marked effects on metabolic indicators health.

Studies on the Preparation of Organic Compounds Labelled by $^{38}Cl$.(I) - Inorganic Yields of $^{38}$ Cl in Szilard Chalmer Reaction of Aromatic Chloro Derivatives

  • Kim, You-Sun
    • Nuclear Engineering and Technology
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    • 제5권1호
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    • pp.44-54
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    • 1973
  • 방사성 $^{38}$ CL로 표지된 유기 하로겐 화합물의 제조방법을 가려내기 위하여서 Phenyl halides(7종), thloro nitrobenzene(6종), Chloro nitroanisole(2종), Chloro aniline (3종), Chloro anisidine(3종), Chloro toluene(3종), Benzyl chloride 유도체(4종) 및 기타 대조 화합물 3종 등을 원자로 내에서 조사하고 생성물을 알카리 수용액으로 주출하고 각각의 무기 $^{38}$ CL 수율을 조사시간 별로 검토하였다. 그 결과 화합물의 구조 보다도 표적물의 상태에 따라서 무기물 수율에 변화가 있고 고체상의 표적물의 경우에는 수율이 일반적으로 얕고 변화가 고르다는 것을 화인 하였다. 화학구조에 따르는 무기 $^{38}$ CL0의 생성수율의 감소는 현재까지의 결과로 보아서 Phenyl chlorides$^{38}$ CL 수율간에 Linear relationship가 있었으며 염소원자수가 많을수록 그 수율이 얕았다. 실험 결과를 논의하였으며 교지 반응에 대한 본 실험 결과의 응용성가능 여부를 고찰하였다.

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Synthesis, Crystal Structure and Theoretical Calculation of a Novel Nickel(II) Complex with Dibromotyrosine and 1,10-Phenanthroline

  • Huang, Guimei;Zhang, Xia;Fan, Yuhua;Bi, Caifeng;Yan, Xingchen;Zhang, Zhongyu;Zhang, Nan
    • Bulletin of the Korean Chemical Society
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    • 제34권10호
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    • pp.2889-2894
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    • 2013
  • A new complex [$Ni(phen)(C_9H_8Br_2NO_3)_2{\cdot}2CH_3OH{\cdot}2H_2O$] [phen: 1,10-phenanthroline $C_9H_8Br_2NO_3$: 3,5-dibromo-L-tyrosine] was synthesized and characterized by IR, elemental analysis and single crystal X-ray diffraction. X-ray crystallography shows that Ni(II) ion is six-coordinated. The Ni(II) ion coordinates with four nitrogen atoms and two oxygen atoms from three ligands, forming a mononuclear Ni(II) complex. The crystal crystallizes in the Orthorhombic system, space group $P2_12_12$ with a = 12.9546 ${\AA}$, b = 14.9822 ${\AA}$, c = 9.9705 ${\AA}$, V = 1935.2 ${\AA}$, Z = 1, F(000) = 1008, S = 0.969, ${\rho}_{calcd}=1.742g{\cdot}cm^{-3}$, ${\mu}=4.688mm^{-1}$, $R_1$ = 0.0529 and $wR_2$ = 0.0738 for 3424 observed reflections (I > $2{\sigma}(I)$). Theoretical study of the title complex was carried out by density functional theory (DFT) method and the B3LYP method employing the $6-3l+G^*$ basis set. The energy gap between HOMO and LUMO indicates that this complex is prone to interact with DNA. CCDC: 908041.

D-$\Pi$-A designed dye chromophores and nanoparticles: optical properties, chemosensor effects and PE/Aramid fiber colorations

  • Son, Young-A;Kim, Su-Ho;Kim, Young-Sung
    • 한국염색가공학회:학술대회논문집
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    • 한국염색가공학회 2010년도 제3회 국제학회
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    • pp.40-40
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    • 2010
  • Studies on attractive color changing property of dye chromophore and fluorophore have been greatly enjoyed in the related industrial and research fields such as optoelectronics, chemosensor, biosensor and so on. The optical property based on D-$\Pi$-A intramolecular charge transfer (ICT) system of chromophore molecules can be utilized as suitable sensing probes for checking media polarity and determining colorimetric chemosensing effect, especially heavy metal detection. These finding are obtained by absorption and emission properties. In this work, donor-acceptor D-$\Pi$-A type fluorescent dyes were designed and synthesized with the corresponding donor and acceptor groups. The selected donor moieties might be provided prominent amorphous properties which are very useful in designing and synthesizing functional polymers and in fabricating devices. Another reasons to choose are commercial availabilities in high purity and low price. Donor-bridge-acceptor (D-A) type dyes can produce impressive optical-physical properties, yielding them potentially suitable for applications in the synthesis of small functional organic molecules. Small organic functional molecules have unique advantages, such as better solubility, amorphous character, and represent an area of research which needs to be explored and developed. Currently, their applications in metalorganic compounds is rapidly expanding and becoming widespread in self-assembly processes, photoluminescence applications, chiral organocatalysts, and ingrafts with nanomaterials. Colloidal nanoparticles have received great attentions in recent years. The photophysical properties of nanoparticles, particularly in terms of brightness, photostability, emission color purity and broad adsorption range, are very attractive functions in many applications. To our knowledge background, colloidal nanoparticles have been enjoyed their applications in bio-probe research fields. This research interest can be raised by the advantages of the materials such as high photoluminescence quantum yields, sharp emission band, long-term photostability and broad excitation spectra. In recent, the uses of nanoparticles being embedded in a polymer matrix and binded on polymer surface have been explored and their properties such as photo-activation and strong photoluminescence have been proposed. The prepared chromophores and nanoparticles were investigated with absorption and emission properties, solvatochromic behaviors, pH induced color switching effects, chemosensing effects and HOMO/LUMO energy potentials with computer simulation. In addition, synthesized fluorophore dyes and particles were applied onto PE/Aramid fiber fluorescing colorations. And the related details were then discussed.

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프탈이미드 유도체를 기본으로 하는 공액고분자의 합성과 특성, 그리고 태양전지의 적용 (Synthesis and Characterization of π-Conjugated Polymer Based on Phthalimide Derivative and its Application for Polymer Solar Cells)

  • ;하예은;김주현
    • 폴리머
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    • 제37권6호
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    • pp.694-701
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    • 2013
  • 프탈이미드 유도체와 티오펜 단량체들을 이용하여 새로운 고분자인 poly((5,5-(2-butyl-5,6-bisdecyloxy-4,7-dithiophen-2-yl-isoindole-1,3-dione))-alt-(2,5-thiophene))(T-TI24T)를 Stille법을 이용하여 합성하였다. T-TI24T의 수평균 분자량은 86500 g/mol로 매우 높으며 클로로포름, 1,2-디클로로벤젠, 톨루엔과 같은 용매에 매우 잘 용해된다. 또한 $380^{\circ}C$까지 매우 우수한 열적 안정성을 갖고 있다. T-TI24T는 꽤 낮은 호모에너지 준위(-5.33 eV)를 갖고 있다. 서로 다른 T-TI24T와 (6)-1-(3-(methoxycarbonyl)-{5}-1-phenyl[5,6]-fullerene(PCBM)의 무게비를 갖는 블렌드를 광활성층으로 하는 태양전지를 제작하여 특성을 살펴본 결과 고분자와 PCBM의 비율이 1:3일 때 가장 최적화된 결과를 보였으며, 이 때 광전변환 효율과 개방전압은 각각 0.199%와 0.99였다. T-TI24T 기반 태양전지들은 비록 매우 작은 광전변환 효율을 갖지만 잘 알려진 P3HT:PC61BM으로 구성된 태양전지와 비교해 큰 매우 큰 개방전압을 갖는다(약 0.5 V).