Efficient light-to-current conversion by organic-inorganic interfacial charge-transfer transitions in TiO2 chemically adsorbed with 2-anthroic acid

被引:59
作者
Fujisawa, Jun-ichi [1 ,2 ]
Nagata, Morio [1 ]
机构
[1] Univ Tokyo, RCAST, Meguro Ku, Tokyo 1538904, Japan
[2] Japan Sci & Technol Agcy JST, Precursory Res Embryon Sci & Technol PRESTO, Kawaguchi, Saitama 3320012, Japan
基金
日本科学技术振兴机构;
关键词
MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; SURFACE MODIFICATION; TRANSFER ABSORPTION; COMPLEX; ENERGIES; TCNQ;
D O I
10.1016/j.cplett.2014.11.049
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Organic-inorganic interfacial charge-transfer (ICT) transitions provide the concepts that organic-inorganic interfaces serve as a field for light absorption and charge separation directly occurs without energy loss. Here, we report efficient light-to-current conversion due to the ICT transitions in TiO2 chemically adsorbed with 2-anthroic acid. The incident photon-to-current conversion efficiency (IPCE) surpasses 85%, showing the significant improvement as compared to the reported results. Density functional analysis shows that the ICT absorption arises from strong d(pi)-pi* interactions at the inorganic-organic interface. In addition, we examined the density of states (DOS) of unoccupied surface states on TiO2 from the absorption and IPCE spectra. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码:180 / 184
页数:5
相关论文
共 27 条
[1]   RAMAN SPECTRUM OF ANTHRACENE [J].
ABASBEGOVIC, N ;
VUKOTIC, N ;
COLOMBO, L .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2575-&
[2]   New Type II Catechol-Thiophene Sensitizers for Dye-Sensitized Solar Cells [J].
An, Byeong-Kwan ;
Hu, Wei ;
Burn, Paul L. ;
Meredith, Paul .
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (41) :17964-17974
[3]  
[Anonymous], ELECTROCHEMISTRY
[4]   Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model [J].
Barone, V ;
Cossi, M .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (11) :1995-2001
[5]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[6]   Tuning the optical and photoelectrochemical properties of surface-modified TiO2 [J].
Beranek, Radim ;
Kisch, Horst .
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES, 2008, 7 (01) :40-48
[7]   Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model [J].
Cossi, M ;
Rega, N ;
Scalmani, G ;
Barone, V .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (06) :669-681
[8]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[9]  
Frisch M. J., 2016, GAUSSIAN 16
[10]   Charge-transfer transitions between wires and spacers in an inorganic-organic quasi-one-dimensional crystal methylviologen lead iodide [J].
Fujisawa, J ;
Ishihara, T .
PHYSICAL REVIEW B, 2004, 70 (11) :113203-1